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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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