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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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