1-(3-nitrophenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(3-nitrophenyl)piperidine-3-carboxylic acid Openeye Name: 1-(3-nitrophenyl)piperidine-3-carboxylic acid CAS Name: 1-(3-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(3-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-nitrophenyl)nipecotic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c15-12(16)9-3-2-6-13(8-9)10-4-1-5-11(7-10)14(17)18/h1,4-5,7,9H,2-3,6,8H2,(H,15,16)