1-(2-carboxy-4-nitro-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-carboxy-4-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-carboxy-4-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(2-carboxy-4-nitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-carboxy-4-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-carboxy-4-nitro-phenyl)isonipecotic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c16-12(17)8-3-5-14(6-4-8)11-2-1-9(15(20)21)7-10(11)13(18)19/h1-2,7-8H,3-6H2,(H,16,17)(H,18,19)