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

Systemtic Name: 1-(2-cyano-4-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-cyano-4-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(2-cyano-4-nitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-cyano-4-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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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