
Benzenoids





















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N-(4-Vinylbenzyl)-N,N-dimethylamine, 90%, technical, stabilized
CAS: 2245-52-5 Molecular Formula: C11H16N Molecular Weight (g/mol): 162.26 MDL Number: MFCD00078270 InChI Key: XQBHAZDVLGNSOJ-UHFFFAOYSA-O Synonym: benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl PubChem CID: 519956 IUPAC Name: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine SMILES: C[NH+](C)CC1=CC=C(C=C)C=C1

PubChem CID | 519956 |
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CAS | 2245-52-5 |
Molecular Weight (g/mol) | 162.26 |
MDL Number | MFCD00078270 |
SMILES | C[NH+](C)CC1=CC=C(C=C)C=C1 |
Synonym | benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl |
IUPAC Name | 1-(4-ethenylphenyl)-N,N-dimethylmethanamine |
InChI Key | XQBHAZDVLGNSOJ-UHFFFAOYSA-O |
Molecular Formula | C11H16N |
2-Methoxybenzonitrile, 99%
CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

PubChem CID | 81086 |
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CAS | 6609-56-9 |
Molecular Weight (g/mol) | 133.15 |
MDL Number | MFCD00001783 |
SMILES | COC1=CC=CC=C1C#N |
Synonym | 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile |
IUPAC Name | 2-methoxybenzonitrile |
InChI Key | FSTPMFASNVISBU-UHFFFAOYSA-N |
Molecular Formula | C8H7NO |
3-Methylsulphonylaniline hydrochloride, 95%
CAS: 80213-28-1 Molecular Formula: C7H10ClNO2S Molecular Weight (g/mol): 207.67 MDL Number: MFCD00216487 InChI Key: ZMPXGSYLKFAGOV-UHFFFAOYSA-N Synonym: 3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride PubChem CID: 2735179 IUPAC Name: 3-methylsulfonylaniline;hydrochloride SMILES: [H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1

PubChem CID | 2735179 |
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CAS | 80213-28-1 |
Molecular Weight (g/mol) | 207.67 |
MDL Number | MFCD00216487 |
SMILES | [H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1 |
Synonym | 3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride |
IUPAC Name | 3-methylsulfonylaniline;hydrochloride |
InChI Key | ZMPXGSYLKFAGOV-UHFFFAOYSA-N |
Molecular Formula | C7H10ClNO2S |
Indan-2-carboxylic acid, 98%
CAS: 25177-85-9 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00085095 InChI Key: XUDCMQBOWOLYCF-UHFFFAOYSA-N Synonym: 2-indancarboxylic acid,indane-2-carboxylic acid,indan-2-carboxylic acid,2-indanecarboxylic acid,1h-indene-2-carboxylic acid, 2,3-dihydro,chembl81558,2-carboxyindane,2-carboxy-indan,2-carboxy-indane,2-indancarboxylicacid PubChem CID: 575777 IUPAC Name: 2,3-dihydro-1H-indene-2-carboxylic acid SMILES: OC(=O)C1CC2=CC=CC=C2C1

PubChem CID | 575777 |
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CAS | 25177-85-9 |
Molecular Weight (g/mol) | 162.19 |
MDL Number | MFCD00085095 |
SMILES | OC(=O)C1CC2=CC=CC=C2C1 |
Synonym | 2-indancarboxylic acid,indane-2-carboxylic acid,indan-2-carboxylic acid,2-indanecarboxylic acid,1h-indene-2-carboxylic acid, 2,3-dihydro,chembl81558,2-carboxyindane,2-carboxy-indan,2-carboxy-indane,2-indancarboxylicacid |
IUPAC Name | 2,3-dihydro-1H-indene-2-carboxylic acid |
InChI Key | XUDCMQBOWOLYCF-UHFFFAOYSA-N |
Molecular Formula | C10H10O2 |
Chloromethyl phenyl sulfone, 99%
CAS: 7205-98-3 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.65 MDL Number: MFCD00007551 InChI Key: NXAIQSVCXQZNRY-UHFFFAOYSA-N Synonym: chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene PubChem CID: 81625 IUPAC Name: chloromethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CCl

PubChem CID | 81625 |
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CAS | 7205-98-3 |
Molecular Weight (g/mol) | 190.65 |
MDL Number | MFCD00007551 |
SMILES | C1=CC=C(C=C1)S(=O)(=O)CCl |
Synonym | chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene |
IUPAC Name | chloromethylsulfonylbenzene |
InChI Key | NXAIQSVCXQZNRY-UHFFFAOYSA-N |
Molecular Formula | C7H7ClO2S |
1-(4-Fluorophenyl)-1-methylethylamine, 97%
CAS: 17797-10-3 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD07777176 InChI Key: NYFSRXOWJXAHOO-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl propan-2-amine,1-4-fluorophenyl-1-methylethylamine,1-4-fluorophenyl-1-methyl-ethylamine,1-4-fluoro-phenyl-1-methyl-ethylamine,2-4-fluorophenyl prop-2-ylamine,1-methyl-1-4-fluorophenyl ethylamine,4-fluorocumylamine,pubchem16914,4-fluoro-alpha,alpha-dimethylbenzylamine,alpha,alpha-dimethyl-4-fluorobenzylamine PubChem CID: 13025665 IUPAC Name: 2-(4-fluorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(F)C=C1

PubChem CID | 13025665 |
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CAS | 17797-10-3 |
Molecular Weight (g/mol) | 153.20 |
MDL Number | MFCD07777176 |
SMILES | CC(C)(N)C1=CC=C(F)C=C1 |
Synonym | 2-4-fluorophenyl propan-2-amine,1-4-fluorophenyl-1-methylethylamine,1-4-fluorophenyl-1-methyl-ethylamine,1-4-fluoro-phenyl-1-methyl-ethylamine,2-4-fluorophenyl prop-2-ylamine,1-methyl-1-4-fluorophenyl ethylamine,4-fluorocumylamine,pubchem16914,4-fluoro-alpha,alpha-dimethylbenzylamine,alpha,alpha-dimethyl-4-fluorobenzylamine |
IUPAC Name | 2-(4-fluorophenyl)propan-2-amine |
InChI Key | NYFSRXOWJXAHOO-UHFFFAOYSA-N |
Molecular Formula | C9H12FN |
Ethyl trans-beta-methylcinnamate, 97%
CAS: 1504-72-9 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00053762 InChI Key: BSXHSWOMMFBMLL-MDZDMXLPSA-N Synonym: e-ethyl 3-phenylbut-2-enoate,cinnamic acid, .beta.-methyl-, ethyl ester,ethyl 3-phenylcrotonate,ethyl 3-phenylcrotonate,ethyl trans-beta-methylcinnamate,ethyl trans-beta-methylcinnamate,ethyl e-3-phenyl-2-butenoate,ethyl e-3-phenyl-2-butenoate,a-methylcinnamate,a-methylcinnamate,2-butenoic acid, 3-phenyl-, ethyl ester PubChem CID: 5354836 IUPAC Name: ethyl (E)-3-phenylbut-2-enoate SMILES: CCOC(=O)C=C(C)C1=CC=CC=C1

PubChem CID | 5354836 |
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CAS | 1504-72-9 |
Molecular Weight (g/mol) | 190.24 |
MDL Number | MFCD00053762 |
SMILES | CCOC(=O)C=C(C)C1=CC=CC=C1 |
Synonym | e-ethyl 3-phenylbut-2-enoate,cinnamic acid, .beta.-methyl-, ethyl ester,ethyl 3-phenylcrotonate,ethyl 3-phenylcrotonate,ethyl trans-beta-methylcinnamate,ethyl trans-beta-methylcinnamate,ethyl e-3-phenyl-2-butenoate,ethyl e-3-phenyl-2-butenoate,a-methylcinnamate,a-methylcinnamate,2-butenoic acid, 3-phenyl-, ethyl ester |
IUPAC Name | ethyl (E)-3-phenylbut-2-enoate |
InChI Key | BSXHSWOMMFBMLL-MDZDMXLPSA-N |
Molecular Formula | C12H14O2 |
Methyl 2-aminopyridine-4-carboxylate, 98%
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N IUPAC Name: methyl 2-aminopyridine-4-carboxylate

CAS | 6937-03-7 |
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Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD04039316 |
IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
Molecular Formula | C7H8N2O2 |
5-Methoxy-2-methylaniline, 97%, Thermo Scientific™
CAS: 50868-72-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00075057 InChI Key: RPJXLEZOFUNGNZ-UHFFFAOYSA-N Synonym: 5-methoxy-o-toluidine,2-amino-4-methoxytoluene,benzenamine, 5-methoxy-2-methyl,5-methoxy-2-methylbenzenamine,2-methyl-5-ethoxyaniline,5-methoxy-2-methylphenylamine,6-methyl-m-anisidine,3-amino-4-methylanisole 5-methoxy-2-methylaniline,pubchem19827,acmc-1awic PubChem CID: 99500 IUPAC Name: 5-methoxy-2-methylaniline SMILES: COC1=CC=C(C)C(N)=C1

PubChem CID | 99500 |
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CAS | 50868-72-9 |
Molecular Weight (g/mol) | 137.18 |
MDL Number | MFCD00075057 |
SMILES | COC1=CC=C(C)C(N)=C1 |
Synonym | 5-methoxy-o-toluidine,2-amino-4-methoxytoluene,benzenamine, 5-methoxy-2-methyl,5-methoxy-2-methylbenzenamine,2-methyl-5-ethoxyaniline,5-methoxy-2-methylphenylamine,6-methyl-m-anisidine,3-amino-4-methylanisole 5-methoxy-2-methylaniline,pubchem19827,acmc-1awic |
IUPAC Name | 5-methoxy-2-methylaniline |
InChI Key | RPJXLEZOFUNGNZ-UHFFFAOYSA-N |
Molecular Formula | C8H11NO |
2-Bromo-5-methoxybenzoic acid, 97%, Thermo Scientific™
CAS: 22921-68-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.04 InChI Key: ODHJOROUCITYNF-UHFFFAOYSA-N Synonym: 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid PubChem CID: 89906 IUPAC Name: 2-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)Br)C(=O)O

PubChem CID | 89906 |
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CAS | 22921-68-2 |
Molecular Weight (g/mol) | 231.04 |
SMILES | COC1=CC(=C(C=C1)Br)C(=O)O |
Synonym | 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid |
IUPAC Name | 2-bromo-5-methoxybenzoic acid |
InChI Key | ODHJOROUCITYNF-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO3 |
2-(Triphenylphosphoranylidene)propionaldehyde, 98%
CAS: 24720-64-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00075596 InChI Key: VHUQEFAWBCDBSC-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene propionaldehyde,2-triphenylphosphoranylidene propanal,propanal, 2-triphenylphosphoranylidene,1-formylethylidenetriphenylphosphorane,2-triphenyl-??-phosphanylidene propanal,acmc-20aol9,2-triphenylylidene propanal,1-formylethylidene triphenyl phosphorane,alpha-formylethylidenetriphenylphosphorane,propanal,2-triphenylphosphoranylidene PubChem CID: 4280987 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)propanal SMILES: CC(C=O)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID | 4280987 |
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CAS | 24720-64-7 |
Molecular Weight (g/mol) | 318.36 |
MDL Number | MFCD00075596 |
SMILES | CC(C=O)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | 2-triphenylphosphoranylidene propionaldehyde,2-triphenylphosphoranylidene propanal,propanal, 2-triphenylphosphoranylidene,1-formylethylidenetriphenylphosphorane,2-triphenyl-??-phosphanylidene propanal,acmc-20aol9,2-triphenylylidene propanal,1-formylethylidene triphenyl phosphorane,alpha-formylethylidenetriphenylphosphorane,propanal,2-triphenylphosphoranylidene |
IUPAC Name | 2-(triphenyl-$l^{5}-phosphanylidene)propanal |
InChI Key | VHUQEFAWBCDBSC-UHFFFAOYSA-N |
Molecular Formula | C21H19OP |
p-Acetotoluidide, 99%
CAS: 103-89-9 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C

PubChem CID | 7684 |
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CAS | 103-89-9 |
Molecular Weight (g/mol) | 149.19 |
MDL Number | MFCD00008677 |
SMILES | CC1=CC=C(C=C1)NC(=O)C |
Synonym | 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide |
IUPAC Name | N-(4-methylphenyl)acetamide |
InChI Key | YICAMJWHIUMFDI-UHFFFAOYSA-N |
Molecular Formula | C9H11NO |
4-Amino-3-nitrobenzoic acid, 98%, Thermo Scientific™
CAS: 1588-83-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00017009 InChI Key: ZZNAYFWAXZJITH-UHFFFAOYSA-N Synonym: 4-amino-3-nitrobenzoic acid,3-nitro-4-aminobenzoic acid,benzoic acid, 4-amino-3-nitro,4-carboxy-2-nitroaniline,3-nitro-4-aminobenozic acid,4-amino-3-nitro-benzoic acid,4-amino-3-nitrobenzoicacid,pubchem4982,rarechem al bo 0261,2-nitro-4-carboxyaniline PubChem CID: 74115 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N

PubChem CID | 74115 |
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CAS | 1588-83-6 |
Molecular Weight (g/mol) | 182.14 |
MDL Number | MFCD00017009 |
SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N |
Synonym | 4-amino-3-nitrobenzoic acid,3-nitro-4-aminobenzoic acid,benzoic acid, 4-amino-3-nitro,4-carboxy-2-nitroaniline,3-nitro-4-aminobenozic acid,4-amino-3-nitro-benzoic acid,4-amino-3-nitrobenzoicacid,pubchem4982,rarechem al bo 0261,2-nitro-4-carboxyaniline |
InChI Key | ZZNAYFWAXZJITH-UHFFFAOYSA-N |
Molecular Formula | C7H6N2O4 |
8-Amino-1-naphthol-3,6-disulfonic acid, monosodium salt hydrate, 80%, tech.
CAS: 312693-54-2 Molecular Formula: C10H8NNaO7S2·H2O Molecular Weight (g/mol): 359.32 MDL Number: MFCD00150460 InChI Key: QPILZZVXGUNELN-UHFFFAOYSA-M

CAS | 312693-54-2 |
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Molecular Weight (g/mol) | 359.32 |
MDL Number | MFCD00150460 |
InChI Key | QPILZZVXGUNELN-UHFFFAOYSA-M |
Molecular Formula | C10H8NNaO7S2·H2O |
7-Amino-3,4-dihydro-1(2H)-naphthalenone, 97%
CAS: 22009-40-1 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD07369817 InChI Key: IDNLVJHOEZJNHW-UHFFFAOYSA-N Synonym: 7-amino-3,4-dihydronaphthalen-1 2h-one,7-amino-1-tetralone,7-amino-alpha-tetralone,7-amino-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 7-amino-3,4-dihydro,7-amino-3,4-dihydronaphthalen-2 1h-one,7-amino-1,2,3,4-tetrahydronaphthalen-1-one,7-amino-2,3,4-trihydronaphthalen-1-one,7-amino-1-oxo-1,2,3,4-tetrahydronaphthalene,7-aminotetralone PubChem CID: 327177 IUPAC Name: 7-amino-3,4-dihydro-2H-naphthalen-1-one SMILES: NC1=CC=C2CCCC(=O)C2=C1

PubChem CID | 327177 |
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CAS | 22009-40-1 |
Molecular Weight (g/mol) | 161.20 |
MDL Number | MFCD07369817 |
SMILES | NC1=CC=C2CCCC(=O)C2=C1 |
Synonym | 7-amino-3,4-dihydronaphthalen-1 2h-one,7-amino-1-tetralone,7-amino-alpha-tetralone,7-amino-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 7-amino-3,4-dihydro,7-amino-3,4-dihydronaphthalen-2 1h-one,7-amino-1,2,3,4-tetrahydronaphthalen-1-one,7-amino-2,3,4-trihydronaphthalen-1-one,7-amino-1-oxo-1,2,3,4-tetrahydronaphthalene,7-aminotetralone |
IUPAC Name | 7-amino-3,4-dihydro-2H-naphthalen-1-one |
InChI Key | IDNLVJHOEZJNHW-UHFFFAOYSA-N |
Molecular Formula | C10H11NO |