3,3-dinitro-2-phenyl-piperidine-2-carboxylic acid

Systemtic Name: 3,3-dinitro-2-phenyl-piperidine-2-carboxylic acid Openeye Name: 3,3-dinitro-2-phenyl-piperidine-2-carboxylic acid CAS Name: 3,3-dinitro-2-phenyl-2-piperidinecarboxylic acid IUPAC Name: 3,3-dinitro-2-phenylpiperidine-2-carboxylic acid Traditional Name: 3,3-dinitro-2-phenyl-pipecolinic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)(C2=CC=CC=C2)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C(NC1)(C2=CC=CC=C2)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c16-10(17)12(9-5-2-1-3-6-9)11(14(18)19,15(20)21)7-4-8-13-12/h1-3,5-6,13H,4,7-8H2,(H,16,17)