1-(2,4-dinitrophenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2,4-dinitrophenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2,4-dinitrophenyl)piperidine-4-carboxylic acid CAS Name: 1-(2,4-dinitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4-dinitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2,4-dinitrophenyl)isonipecotic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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