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

Systemtic Name: [4-[2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-cyano-3-(2-fluoroanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-cyano-3-(2-fluoroanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C24H17FN2O3 MolecularWeight: 400.401783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17FN2O3/c1-16-6-10-18(11-7-16)24(29)30-20-12-8-17(9-13-20)14-19(15-26)23(28)27-22-5-3-2-4-21(22)25/h2-14H,1H3,(H,27,28)