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

Systemtic Name: 6-(4-chlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(4-chlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(4-chlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(4-chlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(4-chlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1(C2=CC=C(C=C2)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C=C(C=C(C1(C2=CC=C(C=C2)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4/c22-16-4-2-15(3-5-16)21(8-7-18(25(28)29)10-19(21)20(26)27)24-17-6-1-13-11-23-12-14(13)9-17/h1-7,9-10,12,24H,8,11H2,(H,26,27)