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

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

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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=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F

InChI

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