5-methoxycarbonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

Systemtic Name: 5-methoxycarbonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate Openeye Name: 5-methoxycarbonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate CAS Name: 5-methoxycarbonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxylate IUPAC Name: 5-methoxycarbonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate Traditional Name: 5-carbomethoxy-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]nicotinate Formula: C17H13F3NO4- MolecularWeight: 352.28463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)[O-])C2=CC(=CC=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)[O-])C2=CC(=CC=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H14F3NO4/c1-8-12(15(22)23)14(13(9(2)21-8)16(24)25-3)10-5-4-6-11(7-10)17(18,19)20/h4-7H,1-3H3,(H,22,23)/p-1