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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H19N3O8 MolecularWeight: 489.43366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O8/c1-34-19-7-4-16(5-8-19)25(31)36-22-10-3-15(12-23(22)35-2)11-17(14-26)24(30)27-20-9-6-18(28(32)33)13-21(20)29/h3-13,29H,1-2H3,(H,27,30)/b17-11+