ethyl 5-bromanyl-6-(hydroxymethyl)-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-6-(hydroxymethyl)-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate Openeye Name: ethyl 5-bromo-6-(hydroxymethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate CAS Name: 5-bromo-6-(hydroxymethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-6-(hydroxymethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate Traditional Name: 5-bromo-2-keto-6-methylol-1-[3-(trifluoromethyl)phenyl]nicotinic acid ethyl ester Formula: C16H13BrF3NO4 MolecularWeight: 420.17793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N(C1=O)C2=CC=CC(=C2)C(F)(F)F)CO)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(N(C1=O)C2=CC=CC(=C2)C(F)(F)F)CO)Br

InChI

InChI=1S/C16H13BrF3NO4/c1-2-25-15(24)11-7-12(17)13(8-22)21(14(11)23)10-5-3-4-9(6-10)16(18,19)20/h3-7,22H,2,8H2,1H3