6-(hydroxymethyl)-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid Openeye Name: 6-(hydroxymethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid CAS Name: 6-(hydroxymethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(hydroxymethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid Traditional Name: 2-keto-6-methylol-1-[3-(trifluoromethyl)phenyl]nicotinic acid Formula: C14H10F3NO4 MolecularWeight: 313.22871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CC=C(C2=O)C(=O)O)CO)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC=C(C2=O)C(=O)O)CO)C(F)(F)F

InChI

InChI=1S/C14H10F3NO4/c15-14(16,17)8-2-1-3-9(6-8)18-10(7-19)4-5-11(12(18)20)13(21)22/h1-6,19H,7H2,(H,21,22)