Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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4,696 – 4,710 of 57,266 results

4,696

2-Aminobenzaldehyde, 97%

CAS: 529-23-7 Molecular Formula: C₇H₇NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00007709 InChI Key: FXWFZIRWWNPPOV-UHFFFAOYSA-N Synonym: o-aminobenzaldehyde,benzaldehyde, 2-amino,2-amino-benzaldehyde,aminobenzaldehyde,anthranilaldehyde,2-formylaniline,anthranil aldehyde,o-amino benzaldehyde,benzaldehyde, amino,pubchem15692 PubChem CID: 68255 IUPAC Name: 2-aminobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)N

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Specifications

PubChem CID	68255
CAS	529-23-7
Molecular Weight (g/mol)	121.14
MDL Number	MFCD00007709
SMILES	C1=CC=C(C(=C1)C=O)N
Synonym	o-aminobenzaldehyde,benzaldehyde, 2-amino,2-amino-benzaldehyde,aminobenzaldehyde,anthranilaldehyde,2-formylaniline,anthranil aldehyde,o-amino benzaldehyde,benzaldehyde, amino,pubchem15692
IUPAC Name	2-aminobenzaldehyde
InChI Key	FXWFZIRWWNPPOV-UHFFFAOYSA-N
Molecular Formula	C₇H₇NO

4,697

4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde, 97%, Thermo Scientific™

CAS: 439691-80-2 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 InChI Key: DJJFKXUSAXIMLS-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl methyl benzaldehyde,1-4-formylbenzyl-4-methylpiperazine,benzaldehyde,4-4-methyl-1-piperazinyl methyl,4-4-methylpiperazino methyl benzaldehyde,4-4-methylpiperazinyl methyl benzaldehyde,4-4-methyl piperazin-1-ylmethyl benzaldehyde,4-4-methyl-1-piperazinyl methyl benzaldehyde PubChem CID: 7164651 IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C=O

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Specifications

PubChem CID	7164651
CAS	439691-80-2
Molecular Weight (g/mol)	218.3
SMILES	CN1CCN(CC1)CC2=CC=C(C=C2)C=O
Synonym	4-4-methylpiperazin-1-yl methyl benzaldehyde,1-4-formylbenzyl-4-methylpiperazine,benzaldehyde,4-4-methyl-1-piperazinyl methyl,4-4-methylpiperazino methyl benzaldehyde,4-4-methylpiperazinyl methyl benzaldehyde,4-4-methyl piperazin-1-ylmethyl benzaldehyde,4-4-methyl-1-piperazinyl methyl benzaldehyde
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI Key	DJJFKXUSAXIMLS-UHFFFAOYSA-N
Molecular Formula	C13H18N2O

4,698

(4-Phenoxyphenyl)methylamine hydrochloride, 97%, Thermo Scientific™

CAS: 169944-04-1 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 InChI Key: VHCSCKHIGGFTHN-UHFFFAOYSA-N Synonym: 4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine hydrochloride,4-phenoxybenzylamine hydrochloride,benzenemethanamine, 4-phenoxy-, hydrochloride,1-4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine, chloride,1-4-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 22293026 IUPAC Name: (4-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl

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Specifications

PubChem CID	22293026
CAS	169944-04-1
Molecular Weight (g/mol)	235.711
SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl
Synonym	4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine hydrochloride,4-phenoxybenzylamine hydrochloride,benzenemethanamine, 4-phenoxy-, hydrochloride,1-4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine, chloride,1-4-phenoxyphenyl methanamine-hydrogen chloride 1/1
IUPAC Name	(4-phenoxyphenyl)methanamine;hydrochloride
InChI Key	VHCSCKHIGGFTHN-UHFFFAOYSA-N
Molecular Formula	C13H14ClNO

4,699

5-Chloro-2,4-dinitrobenzoic acid, 98%

CAS: 136833-36-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00091829 InChI Key: VVQOEJCXWMGEJG-UHFFFAOYSA-N Synonym: 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid PubChem CID: 3727860 SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	3727860
CAS	136833-36-8
Molecular Weight (g/mol)	246.559
MDL Number	MFCD00091829
SMILES	C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Synonym	5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid
InChI Key	VVQOEJCXWMGEJG-UHFFFAOYSA-N
Molecular Formula	C7H3ClN2O6

4,700

Nitroterephthalic acid, 99%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

4,701

2-Nitroterephthalic acid 1-methyl ester, 97%

CAS: 35092-89-8 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.16 MDL Number: MFCD00024510 InChI Key: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid PubChem CID: 98592 IUPAC Name: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O

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Specifications

PubChem CID	98592
CAS	35092-89-8
Molecular Weight (g/mol)	225.16
MDL Number	MFCD00024510
SMILES	COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
Synonym	4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid
IUPAC Name	4-(methoxycarbonyl)-3-nitrobenzoic acid
InChI Key	MIIADZYPHVTLPR-UHFFFAOYSA-N
Molecular Formula	C9H7NO6

4,702

4-Isopropylaniline, 99%

CAS: 99-88-7 Molecular Formula: C₉H₁₃N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N

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Specifications

PubChem CID	7464
CAS	99-88-7
Molecular Weight (g/mol)	135.21
ChEBI	CHEBI:43405
MDL Number	MFCD00007900
SMILES	CC(C)C1=CC=C(C=C1)N
Synonym	4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl
IUPAC Name	4-propan-2-ylaniline
InChI Key	LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃N

4,703

2-(Trifluoromethyl)benzoic acid, 98%

CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	9899
CAS	433-97-6
Molecular Weight (g/mol)	190.12
ChEBI	CHEBI:60694
MDL Number	MFCD00002476
SMILES	OC(=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
IUPAC Name	2-(trifluoromethyl)benzoic acid
InChI Key	FBRJYBGLCHWYOE-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

4,704

Tetraphenylphosphonium bromide, 99%

CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium;bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724163
CAS	2751-90-8
Molecular Weight (g/mol)	419.30
MDL Number	MFCD00011915
SMILES	[Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide
IUPAC Name	tetraphenylphosphanium;bromide
InChI Key	BRKFQVAOMSWFDU-UHFFFAOYSA-M
Molecular Formula	C24H20BrP

4,705

p-Fluorobenzyl Bromide,MP Biomedicals

CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1

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Specifications

PubChem CID	68021
CAS	459-46-1
Molecular Weight (g/mol)	189.03
MDL Number	MFCD00000359
SMILES	FC1=CC=C(CBr)C=C1
Synonym	4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide
IUPAC Name	1-(bromomethyl)-4-fluorobenzene
InChI Key	NVNPLEPBDPJYRZ-UHFFFAOYSA-N
Molecular Formula	C7H6BrF

4,706

Sodium Terephthalate, MP Biomedicals

CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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Specifications

PubChem CID	82305
CAS	10028-70-3
Molecular Weight (g/mol)	210.096
SMILES	C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
IUPAC Name	disodium;terephthalate
InChI Key	VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Formula	C8H4Na2O4

4,707

Aniline Hydrogen Phthalate, MP Biomedicals

CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

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Specifications

PubChem CID	170940
CAS	50930-79-5
Molecular Weight (g/mol)	259.261
SMILES	C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
Synonym	aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt
IUPAC Name	aniline;phthalic acid
InChI Key	QGPZXNSBZMHHSR-UHFFFAOYSA-N
Molecular Formula	C14H13NO4

4,708

Phosphorus Triphenyl, MP Biomedicals

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11776
CAS	603-35-0
Molecular Weight (g/mol)	262.29
MDL Number	MFCD00003043 MFCD20489348
SMILES	C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name	triphenylphosphane
InChI Key	RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula	C18H15P

4,709

3,3',5,5'-Tetramethylbenzidine, MP Biomedicals™

CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C

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Specifications

PubChem CID	41206
CAS	54827-17-7
Molecular Weight (g/mol)	240.35
SMILES	CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
Synonym	3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble
IUPAC Name	4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline
InChI Key	UAIUNKRWKOVEES-UHFFFAOYSA-N
Molecular Formula	C16H20N2

4,710

N-α-Benzoyl-L-Arginine p-Nitroanilide Hydrochloride, MP Biomedicals™

CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

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Specifications

PubChem CID	16219022
CAS	21653-40-7
Molecular Weight (g/mol)	434.881
MDL Number	MFCD00063682
SMILES	C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
Synonym	bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl
IUPAC Name	N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride
InChI Key	DEOKFPFLXFNAON-NTISSMGPSA-N
Molecular Formula	C19H23ClN6O4

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