(3S)-1-[2-(4-nitrophenyl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(4-nitrophenyl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-nitrophenyl)acetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(4-nitrophenyl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-nitrophenyl)acetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-nitrophenyl)acetyl]nipecotic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H16N2O5/c17-13(15-7-1-2-11(9-15)14(18)19)8-10-3-5-12(6-4-10)16(20)21/h3-6,11H,1-2,7-9H2,(H,18,19)/t11-/m0/s1