1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-(4-nitrophenyl)ethyl]isonipecotic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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