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

Systemtic Name: 5-bromanyl-2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid Openeye Name: 5-bromo-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid CAS Name: 5-bromo-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 5-bromo-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid Traditional Name: 5-bromo-2-keto-1-[3-(trifluoromethyl)benzyl]nicotinic acid Formula: C14H9BrF3NO3 MolecularWeight: 376.12537

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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)