1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylnipecotic acid Formula: C13H13F3N2O6S MolecularWeight: 382.31233

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13F3N2O6S/c14-13(15,16)9-3-4-11(10(6-9)18(21)22)25(23,24)17-5-1-2-8(7-17)12(19)20/h3-4,6,8H,1-2,5,7H2,(H,19,20)