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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H19FN2O4 MolecularWeight: 430.427763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)/C#N

InChI

InChI=1S/C25H19FN2O4/c1-16-3-10-21(11-4-16)28-24(29)19(15-27)13-17-5-12-22(23(14-17)31-2)32-25(30)18-6-8-20(26)9-7-18/h3-14H,1-2H3,(H,28,29)/b19-13+