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

Systemtic Name: [5-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [5-[2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-[2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H19FN2O5 MolecularWeight: 446.427163

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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=C(C=C3)F)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C25H19FN2O5/c1-31-21-10-4-17(5-11-21)25(30)33-23-14-16(3-12-22(23)32-2)13-18(15-27)24(29)28-20-8-6-19(26)7-9-20/h3-14H,1-2H3,(H,28,29)