[4-[(E)-3-[(2-chloranyl-5-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-3-[(2-chloranyl-5-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-3-(2-chloro-5-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-3-(2-chloro-5-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H16ClN3O6 MolecularWeight: 477.85334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H16ClN3O6/c1-33-22-12-15(7-10-21(22)34-24(30)16-5-3-2-4-6-16)11-17(14-26)23(29)27-20-13-18(28(31)32)8-9-19(20)25/h2-13H,1H3,(H,27,29)/b17-11+