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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C21H15Cl2N3O4 MolecularWeight: 444.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1C=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

C1C=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/C21H15Cl2N3O4/c22-18-4-2-14(8-19(18)23)21(6-5-16(26(29)30)9-17(21)20(27)28)25-15-3-1-12-10-24-11-13(12)7-15/h1-5,7-9,11,25H,6,10H2,(H,27,28)