(3S)-1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(3-nitrophenyl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(3-nitrophenyl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(3-nitrophenyl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-(3-nitrophenyl)ethyl]nipecotic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H16N2O5/c17-13(10-3-1-5-12(7-10)16(20)21)9-15-6-2-4-11(8-15)14(18)19/h1,3,5,7,11H,2,4,6,8-9H2,(H,18,19)/t11-/m0/s1