1-(4-cyano-2-nitro-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-cyano-2-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-cyano-2-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(4-cyano-2-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-cyano-2-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-cyano-2-nitro-phenyl)nipecotic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c14-7-9-3-4-11(12(6-9)16(19)20)15-5-1-2-10(8-15)13(17)18/h3-4,6,10H,1-2,5,8H2,(H,17,18)