1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid Formula: C13H13F3N2O4 MolecularWeight: 318.24853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O4/c14-13(15,16)9-1-2-10(11(7-9)18(21)22)17-5-3-8(4-6-17)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)