1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]isonipecotic acid Formula: C13H12F3N3O6 MolecularWeight: 363.24609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O6/c14-13(15,16)8-5-9(18(22)23)11(10(6-8)19(24)25)17-3-1-7(2-4-17)12(20)21/h5-7H,1-4H2,(H,20,21)