5-bromanyl-2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate

Systemtic Name: 5-bromanyl-2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate Openeye Name: 5-bromo-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate CAS Name: 5-bromo-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxylate IUPAC Name: 5-bromo-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate Traditional Name: 5-bromo-2-keto-1-[3-(trifluoromethyl)benzyl]nicotinate Formula: C14H8BrF3NO3- MolecularWeight: 375.11743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=C(C2=O)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=C(C2=O)C(=O)[O-])Br

InChI

InChI=1S/C14H9BrF3NO3/c15-10-5-11(13(21)22)12(20)19(7-10)6-8-2-1-3-9(4-8)14(16,17)18/h1-5,7H,6H2,(H,21,22)/p-1