[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl] 2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethyl)phenyl] 2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: [4-(2-amino-2-oxo-ethyl)phenyl] 2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 2-(trifluoromethyl)-3-pyridinecarboxylic acid [4-(2-amino-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-amino-2-oxoethyl)phenyl] 2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 2-(trifluoromethyl)nicotinic acid [4-(2-amino-2-keto-ethyl)phenyl] ester Formula: C15H11F3N2O3 MolecularWeight: 324.25465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(F)(F)F)C(=O)OC2=CC=C(C=C2)CC(=O)N

Isomeric SMILES

C1=CC(=C(N=C1)C(F)(F)F)C(=O)OC2=CC=C(C=C2)CC(=O)N

InChI

InChI=1S/C15H11F3N2O3/c16-15(17,18)13-11(2-1-7-20-13)14(22)23-10-5-3-9(4-6-10)8-12(19)21/h1-7H,8H2,(H2,19,21)