[4-(trifluoromethyl)phenyl]methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [4-(trifluoromethyl)benzyl] ester Formula: C18H13F3N2O3 MolecularWeight: 362.30263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O3/c19-18(20,21)14-5-1-12(2-6-14)11-26-17(25)13-3-7-15(8-4-13)23-16(24)9-10-22/h1-8H,9,11H2,(H,23,24)