(3S)-1-[(2-oxidanyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2-oxidanyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2-hydroxy-6-oxo-1H-pyridin-4-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-hydroxy-6-keto-1H-pyridine-4-carbonyl)nipecotic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=O)NC(=C2)O)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=O)NC(=C2)O)C(=O)O

InChI

InChI=1S/C12H14N2O5/c15-9-4-8(5-10(16)13-9)11(17)14-3-1-2-7(6-14)12(18)19/h4-5,7H,1-3,6H2,(H,18,19)(H2,13,15,16)/t7-/m0/s1