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

Systemtic Name: [5-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [5-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-[(E)-2-cyano-3-keto-3-(2-nitroanilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H19N3O7 MolecularWeight: 473.43426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O7/c1-33-19-10-8-17(9-11-19)25(30)35-23-14-16(7-12-22(23)34-2)13-18(15-26)24(29)27-20-5-3-4-6-21(20)28(31)32/h3-14H,1-2H3,(H,27,29)/b18-13+