[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-fluoranylbenzoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-fluoranylbenzoate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H16FNO3 MolecularWeight: 301.312243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C17H16FNO3/c1-11-6-8-15(9-7-11)19-16(20)12(2)22-17(21)13-4-3-5-14(18)10-13/h3-10,12H,1-2H3,(H,19,20)