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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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