1-(2-chloranyl-6-nitro-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-chloranyl-6-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-chloro-6-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(2-chloro-6-nitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-6-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-chloro-6-nitro-phenyl)isonipecotic acid Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O4/c13-9-2-1-3-10(15(18)19)11(9)14-6-4-8(5-7-14)12(16)17/h1-3,8H,4-7H2,(H,16,17)