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

Systemtic Name: [2-[(E)-2-cyano-3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [2-[(E)-2-cyano-3-(2-methoxy-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[(E)-2-cyano-3-keto-3-(2-methoxy-4-nitro-anilino)prop-1-enyl]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=CC=CC=C2C=C(C#N)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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