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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-methoxy-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-methoxy-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-methoxy-3-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-methoxy-3-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-methoxy-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C22H17Cl2N3O5 MolecularWeight: 474.29348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H17Cl2N3O5/c1-32-20-9-22(14-3-5-17(23)18(24)7-14,16(21(28)29)8-19(20)27(30)31)26-15-4-2-12-10-25-11-13(12)6-15/h2-8,11,26H,9-10H2,1H3,(H,28,29)