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

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-nitrophenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-nitrophenyl)ethyl]nipecotic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O4/c17-14(18)12-2-1-8-15(10-12)9-7-11-3-5-13(6-4-11)16(19)20/h3-6,12H,1-2,7-10H2,(H,17,18)