6-(3,4-dimethylphenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-(3,4-dimethylphenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dimethylphenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dimethylphenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dimethylphenyl)-6-(1H-isoindol-5-ylamino)-3-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dimethylphenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(CC=C(C=C2C(=O)O)[N+](=O)[O-])NC3=CC4=C(CN=C4)C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2(CC=C(C=C2C(=O)O)[N+](=O)[O-])NC3=CC4=C(CN=C4)C=C3)C

InChI

InChI=1S/C23H21N3O4/c1-14-3-5-18(9-15(14)2)23(8-7-20(26(29)30)11-21(23)22(27)28)25-19-6-4-16-12-24-13-17(16)10-19/h3-7,9-11,13,25H,8,12H2,1-2H3,(H,27,28)