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

Systemtic Name: [5-[(E)-2-cyano-3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [5-[(E)-2-cyano-3-(2-methoxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-[(E)-2-cyano-3-keto-3-(2-methoxy-4-nitro-anilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H21N3O8 MolecularWeight: 503.46024

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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=C(C=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O8/c1-34-20-8-5-17(6-9-20)26(31)37-24-13-16(4-11-22(24)35-2)12-18(15-27)25(30)28-21-10-7-19(29(32)33)14-23(21)36-3/h4-14H,1-3H3,(H,28,30)/b18-12+