1-[[2-oxidanylidene-6-(trifluoromethyl)-1H-pyridin-3-yl]carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-6-(trifluoromethyl)-1H-pyridin-3-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-keto-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]proline Formula: C12H11F3N2O4 MolecularWeight: 304.22195

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(NC2=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(NC2=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-6(9(18)16-8)10(19)17-5-1-2-7(17)11(20)21/h3-4,7H,1-2,5H2,(H,16,18)(H,20,21)