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

Systemtic Name: [4-[2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[2-cyano-3-(2-fluoroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-cyano-3-(2-fluoroanilino)-3-keto-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)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3F)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3F)OC

InChI

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