Organic oxoazanium compounds

Organic compounds that contain or are associated with an oxoazanium ion; oxoazanium ions have an oxygen atom bonded to a nitrogen atom via a double bond, and the nitrogen atom is bonded to two hydrogen atoms.

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91 – 105 of 493 results

1-Chloro-4-nitrobenzene, 99%

CAS: 100-00-5 Molecular Formula: C₆H₄ClNO₂ Molecular Weight (g/mol): 157.56 MDL Number: MFCD00007285 InChI Key: CZGCEKJOLUNIFY-UHFFFAOYSA-N Synonym: 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene PubChem CID: 7474 ChEBI: CHEBI:34399 IUPAC Name: 1-chloro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl

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PubChem CID	7474
CAS	100-00-5
Molecular Weight (g/mol)	157.56
ChEBI	CHEBI:34399
MDL Number	MFCD00007285
SMILES	C1=CC(=CC=C1[N+](=O)[O-])Cl
Synonym	4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene
IUPAC Name	1-chloro-4-nitrobenzene
InChI Key	CZGCEKJOLUNIFY-UHFFFAOYSA-N
Molecular Formula	C₆H₄ClNO₂

2-Chloro-4-fluoro-1-nitrobenzene, 98%

CAS: 2106-50-5 Molecular Formula: C6H3ClFNO2 Molecular Weight (g/mol): 175.543 MDL Number: MFCD03412200 InChI Key: KQOOFMWRLDRDAX-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoronitrobenzene,1-chloro-5-fluoro-2-nitrobenzene,benzene, 2-chloro-4-fluoro-1-nitro,pubchem4342,acmc-209fh8,2-choro-4-fluoronitrobenzene,ksc205m1p,3-chloro-4-nitrofluorobenzene,4-fluoro-2-chloronitrobenzene,2-chloro-4-fluoronitrobenzenen PubChem CID: 75017 IUPAC Name: 2-chloro-4-fluoro-1-nitrobenzene SMILES: C1=CC(=C(C=C1F)Cl)[N+](=O)[O-]

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PubChem CID	75017
CAS	2106-50-5
Molecular Weight (g/mol)	175.543
MDL Number	MFCD03412200
SMILES	C1=CC(=C(C=C1F)Cl)[N+](=O)[O-]
Synonym	2-chloro-4-fluoronitrobenzene,1-chloro-5-fluoro-2-nitrobenzene,benzene, 2-chloro-4-fluoro-1-nitro,pubchem4342,acmc-209fh8,2-choro-4-fluoronitrobenzene,ksc205m1p,3-chloro-4-nitrofluorobenzene,4-fluoro-2-chloronitrobenzene,2-chloro-4-fluoronitrobenzenen
IUPAC Name	2-chloro-4-fluoro-1-nitrobenzene
InChI Key	KQOOFMWRLDRDAX-UHFFFAOYSA-N
Molecular Formula	C6H3ClFNO2

4-Nitrobenzonitrile, 97%

CAS: 619-72-7 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007279 InChI Key: NKJIFDNZPGLLSH-UHFFFAOYSA-N Synonym: benzonitrile, 4-nitro,4-cyanonitrobenzene,p-nitrobenzonitrile,p-cyanonitrobenzene,benzonitrile, p-nitro,4-nitrobenzenecarbonitrile,1-nitro-4-cyanobenzene,4-nitro-benzonitrile,ccris 2328,4-nitrobenzonitril PubChem CID: 12090 IUPAC Name: 4-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(C=C1)C#N

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PubChem CID	12090
CAS	619-72-7
Molecular Weight (g/mol)	148.12
MDL Number	MFCD00007279
SMILES	[O-][N+](=O)C1=CC=C(C=C1)C#N
Synonym	benzonitrile, 4-nitro,4-cyanonitrobenzene,p-nitrobenzonitrile,p-cyanonitrobenzene,benzonitrile, p-nitro,4-nitrobenzenecarbonitrile,1-nitro-4-cyanobenzene,4-nitro-benzonitrile,ccris 2328,4-nitrobenzonitril
IUPAC Name	4-nitrobenzonitrile
InChI Key	NKJIFDNZPGLLSH-UHFFFAOYSA-N
Molecular Formula	C7H4N2O2

8-Nitroquinoline, 98%

CAS: 607-35-2 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00006806 InChI Key: OQHHSGRZCKGLCY-UHFFFAOYSA-N Synonym: quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825 PubChem CID: 11830 IUPAC Name: 8-nitroquinoline SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2

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PubChem CID	11830
CAS	607-35-2
Molecular Weight (g/mol)	174.159
MDL Number	MFCD00006806
SMILES	C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
Synonym	quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825
IUPAC Name	8-nitroquinoline
InChI Key	OQHHSGRZCKGLCY-UHFFFAOYSA-N
Molecular Formula	C9H6N2O2

4-Chloro-3-nitrobenzonitrile, 98%

CAS: 939-80-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00016987 InChI Key: XBLPHYSLHRGMNW-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile PubChem CID: 13655 IUPAC Name: 4-chloro-3-nitrobenzonitrile SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

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Specifications

PubChem CID	13655
CAS	939-80-0
Molecular Weight (g/mol)	182.563
MDL Number	MFCD00016987
SMILES	C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
Synonym	3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile
IUPAC Name	4-chloro-3-nitrobenzonitrile
InChI Key	XBLPHYSLHRGMNW-UHFFFAOYSA-N
Molecular Formula	C7H3ClN2O2

3,5-Dinitrobenzonitrile, 98%

CAS: 4110-35-4 Molecular Formula: C7H3N3O4 Molecular Weight (g/mol): 193.12 MDL Number: MFCD00007228 InChI Key: SSDNULNTQAUNFQ-UHFFFAOYSA-N Synonym: benzonitrile, 3,5-dinitro,3,5-dinitro-benzonitrile,3,5-dinitrobenzenecarbonitrile,acmc-209jih,3,5-bisnitrobenzonitrile,3,5-dinitrobenzonitrile,wln: wnr cnw ecn,benzonitrile,3,5-dinitro,1,3-dinitro-5-cyanobenzene,5-cyano-1,3-dinitrobenzene PubChem CID: 20062 IUPAC Name: 3,5-dinitrobenzonitrile SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C#N)[N+]([O-])=O

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Specifications

PubChem CID	20062
CAS	4110-35-4
Molecular Weight (g/mol)	193.12
MDL Number	MFCD00007228
SMILES	[O-][N+](=O)C1=CC(=CC(=C1)C#N)[N+]([O-])=O
Synonym	benzonitrile, 3,5-dinitro,3,5-dinitro-benzonitrile,3,5-dinitrobenzenecarbonitrile,acmc-209jih,3,5-bisnitrobenzonitrile,3,5-dinitrobenzonitrile,wln: wnr cnw ecn,benzonitrile,3,5-dinitro,1,3-dinitro-5-cyanobenzene,5-cyano-1,3-dinitrobenzene
IUPAC Name	3,5-dinitrobenzonitrile
InChI Key	SSDNULNTQAUNFQ-UHFFFAOYSA-N
Molecular Formula	C7H3N3O4

2-Nitrobenzenesulfenyl chloride, 97%

CAS: 7669-54-7 Molecular Formula: C6H4ClNO2S Molecular Weight (g/mol): 189.613 MDL Number: MFCD00007128 InChI Key: NTNKNFHIAFDCSJ-UHFFFAOYSA-N Synonym: 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane PubChem CID: 24319 IUPAC Name: (2-nitrophenyl) thiohypochlorite SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCl

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PubChem CID	24319
CAS	7669-54-7
Molecular Weight (g/mol)	189.613
MDL Number	MFCD00007128
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])SCl
Synonym	2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane
IUPAC Name	(2-nitrophenyl) thiohypochlorite
InChI Key	NTNKNFHIAFDCSJ-UHFFFAOYSA-N
Molecular Formula	C6H4ClNO2S

6-Cyano-7-nitro-1,4-dihydroquinoxaline-2,3-dione, 98%

CAS: 115066-14-3 Molecular Formula: C9H4N4O4 Molecular Weight (g/mol): 232.155 MDL Number: MFCD00069232 InChI Key: RPXVIAFEQBNEAX-UHFFFAOYSA-N Synonym: cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile PubChem CID: 3721046 ChEBI: CHEBI:34468 IUPAC Name: 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile SMILES: C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N

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Specifications

PubChem CID	3721046
CAS	115066-14-3
Molecular Weight (g/mol)	232.155
ChEBI	CHEBI:34468
MDL Number	MFCD00069232
SMILES	C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
Synonym	cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile
IUPAC Name	7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
InChI Key	RPXVIAFEQBNEAX-UHFFFAOYSA-N
Molecular Formula	C9H4N4O4

3-Nitrophenylacetic acid, 99%

CAS: 1877-73-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007278 InChI Key: WUKHOVCMWXMOOA-UHFFFAOYSA-N Synonym: 3-nitrophenylacetic acid,2-3-nitrophenyl acetic acid,3-nitrophenyl acetic acid,benzeneacetic acid, 3-nitro,m-nitrophenyl acetic acid,m-nitrophenylacetic acid,3-nitrobenzeneacetic acid,acetic acid, m-nitrophenyl,ccris 2337 PubChem CID: 15876 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O

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PubChem CID	15876
CAS	1877-73-2
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007278
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O
Synonym	3-nitrophenylacetic acid,2-3-nitrophenyl acetic acid,3-nitrophenyl acetic acid,benzeneacetic acid, 3-nitro,m-nitrophenyl acetic acid,m-nitrophenylacetic acid,3-nitrobenzeneacetic acid,acetic acid, m-nitrophenyl,ccris 2337
InChI Key	WUKHOVCMWXMOOA-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

100

1,2,3-Trifluoro-5-nitrobenzene, 99%

CAS: 66684-58-0 Molecular Formula: C6H2F3NO2 Molecular Weight (g/mol): 177.08 MDL Number: MFCD00456803 InChI Key: PTTUMBGORBMNBN-UHFFFAOYSA-N Synonym: 3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene PubChem CID: 2782793 IUPAC Name: 1,2,3-trifluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(F)=C(F)C(F)=C1

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Specifications

PubChem CID	2782793
CAS	66684-58-0
Molecular Weight (g/mol)	177.08
MDL Number	MFCD00456803
SMILES	[O-][N+](=O)C1=CC(F)=C(F)C(F)=C1
Synonym	3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene
IUPAC Name	1,2,3-trifluoro-5-nitrobenzene
InChI Key	PTTUMBGORBMNBN-UHFFFAOYSA-N
Molecular Formula	C6H2F3NO2

101

Ethyl 4-nitrophenylacetate, 98%

CAS: 5445-26-1 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.20 MDL Number: MFCD00017046 InChI Key: DWDRNKYLWMKWTH-UHFFFAOYSA-N Synonym: ethyl 4-nitrophenylacetate,ethyl 2-4-nitrophenyl acetate,ethyl p-nitrophenylacetate,ethyl 4-nitrobenzeneacetate,ethyl 4-nitrophenyl acetate,4-nitrophenylacetic acid ethyl ester,benzeneacetic acid, 4-nitro-, ethyl ester,ethyl-4-nitrophenylacetate,acetic acid, p-nitrophenyl-, ethyl ester,4-nitro-phenyl-acetic acid ethyl ester PubChem CID: 79517 IUPAC Name: ethyl 2-(4-nitrophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	79517
CAS	5445-26-1
Molecular Weight (g/mol)	209.20
MDL Number	MFCD00017046
SMILES	CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
Synonym	ethyl 4-nitrophenylacetate,ethyl 2-4-nitrophenyl acetate,ethyl p-nitrophenylacetate,ethyl 4-nitrobenzeneacetate,ethyl 4-nitrophenyl acetate,4-nitrophenylacetic acid ethyl ester,benzeneacetic acid, 4-nitro-, ethyl ester,ethyl-4-nitrophenylacetate,acetic acid, p-nitrophenyl-, ethyl ester,4-nitro-phenyl-acetic acid ethyl ester
IUPAC Name	ethyl 2-(4-nitrophenyl)acetate
InChI Key	DWDRNKYLWMKWTH-UHFFFAOYSA-N
Molecular Formula	C10H11NO4

102

7-Methyl-8-nitroquinoline, 98+%

CAS: 7471-63-8 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD00041234 InChI Key: ZZDTVYJYMRSNQL-UHFFFAOYSA-N Synonym: quinoline, 7-methyl-8-nitro,8-nitro-7-methylquinoline,7-methyl-8-nitro-quinoline,acmc-1bcox,7-methyl 8-nitroquinoline PubChem CID: 81981 IUPAC Name: 7-methyl-8-nitroquinoline SMILES: CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	81981
CAS	7471-63-8
Molecular Weight (g/mol)	188.186
MDL Number	MFCD00041234
SMILES	CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-]
Synonym	quinoline, 7-methyl-8-nitro,8-nitro-7-methylquinoline,7-methyl-8-nitro-quinoline,acmc-1bcox,7-methyl 8-nitroquinoline
IUPAC Name	7-methyl-8-nitroquinoline
InChI Key	ZZDTVYJYMRSNQL-UHFFFAOYSA-N
Molecular Formula	C10H8N2O2

103

4-Nitrophenyl formate, 98%

CAS: 1865-01-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00014713 InChI Key: IEXRKQFZXJSHOB-UHFFFAOYSA-N PubChem CID: 74628 IUPAC Name: (4-nitrophenyl) formate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC=O

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Specifications

PubChem CID	74628
CAS	1865-01-6
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00014713
SMILES	C1=CC(=CC=C1[N+](=O)[O-])OC=O
IUPAC Name	(4-nitrophenyl) formate
InChI Key	IEXRKQFZXJSHOB-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

104

Ethyl 6-nitroindole-2-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 16792-45-3 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.21 MDL Number: MFCD04973967 InChI Key: SOMZLSPJSSDTAP-UHFFFAOYSA-N Synonym: ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester PubChem CID: 616444 IUPAC Name: ethyl 6-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O

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Specifications

PubChem CID	616444
CAS	16792-45-3
Molecular Weight (g/mol)	234.21
MDL Number	MFCD04973967
SMILES	CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O
Synonym	ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester
IUPAC Name	ethyl 6-nitro-1H-indole-2-carboxylate
InChI Key	SOMZLSPJSSDTAP-UHFFFAOYSA-N
Molecular Formula	C11H10N2O4

105

2-Nitrophenylacetic acid, 99%

CAS: 3740-52-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007190 InChI Key: WMUZDBZPDLHUMW-UHFFFAOYSA-N Synonym: 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38 PubChem CID: 77337 IUPAC Name: 2-(2-nitrophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	77337
CAS	3740-52-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007190
SMILES	OC(=O)CC1=CC=CC=C1[N+]([O-])=O
Synonym	2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38
IUPAC Name	2-(2-nitrophenyl)acetic acid
InChI Key	WMUZDBZPDLHUMW-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

Organic oxoazanium compounds

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