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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]phenyl] ester Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17N3O6/c1-32-21-12-4-17(5-13-21)24(29)33-22-10-2-16(3-11-22)14-18(15-25)23(28)26-19-6-8-20(9-7-19)27(30)31/h2-14H,1H3,(H,26,28)/b18-14+