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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC3(C(C=CC=C3C(=O)O)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)Cl)C=N1

Isomeric SMILES

C1C2=C(C=C(C=C2)NC3(C(C=CC=C3C(=O)O)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)Cl)C=N1

InChI

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