2-oxidanylidene-1-[4,4,4-tris(fluoranyl)-2-methyl-butyl]pyridine-4-carboxylic acid

Systemtic Name: 2-oxidanylidene-1-[4,4,4-tris(fluoranyl)-2-methyl-butyl]pyridine-4-carboxylic acid Openeye Name: 2-oxo-1-(4,4,4-trifluoro-2-methyl-butyl)pyridine-4-carboxylic acid CAS Name: 2-oxo-1-(4,4,4-trifluoro-2-methylbutyl)-4-pyridinecarboxylic acid IUPAC Name: 2-oxo-1-(4,4,4-trifluoro-2-methylbutyl)pyridine-4-carboxylic acid Traditional Name: 2-keto-1-(4,4,4-trifluoro-2-methyl-butyl)isonicotinic acid Formula: C11H12F3NO3 MolecularWeight: 263.21309

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(F)(F)F)CN1C=CC(=CC1=O)C(=O)O

Isomeric SMILES

CC(CC(F)(F)F)CN1C=CC(=CC1=O)C(=O)O

InChI

InChI=1S/C11H12F3NO3/c1-7(5-11(12,13)14)6-15-3-2-8(10(17)18)4-9(15)16/h2-4,7H,5-6H2,1H3,(H,17,18)