(3S)-1-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: (3S)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(6-keto-1H-pyridine-3-carbonyl)nipecotate Formula: C12H13N2O4- MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CNC(=O)C=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CNC(=O)C=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O4/c15-10-4-3-8(6-13-10)11(16)14-5-1-2-9(7-14)12(17)18/h3-4,6,9H,1-2,5,7H2,(H,13,15)(H,17,18)/p-1/t9-/m0/s1