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

Systemtic Name: 1-(4-cyano-2-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-cyano-2-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-cyano-2-nitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-cyano-2-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-cyano-2-nitro-phenyl)isonipecotic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c14-8-9-1-2-11(12(7-9)16(19)20)15-5-3-10(4-6-15)13(17)18/h1-2,7,10H,3-6H2,(H,17,18)