(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H19F3N2O3 MolecularWeight: 380.36097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O3/c1-18(2,3)15(25)11-27-17(26)14-8-5-9-23-16(14)24-13-7-4-6-12(10-13)19(20,21)22/h4-10H,11H2,1-3H3,(H,23,24)