1-[2,4,5-tris(fluoranyl)-3-oxidanidyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: 1-[2,4,5-tris(fluoranyl)-3-oxidanidyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: 1-(2,4,5-trifluoro-3-oxido-benzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(2,4,5-trifluoro-3-oxidophenyl)methyl]-4-piperidinecarboxylate IUPAC Name: 1-(2,4,5-trifluoro-3-oxidobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4,5-trifluoro-3-oxido-benzoyl)isonipecotate Formula: C13H10F3NO4-2 MolecularWeight: 301.21801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)C2=CC(=C(C(=C2F)[O-])F)F

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)C2=CC(=C(C(=C2F)[O-])F)F

InChI

InChI=1S/C13H12F3NO4/c14-8-5-7(9(15)11(18)10(8)16)12(19)17-3-1-6(2-4-17)13(20)21/h5-6,18H,1-4H2,(H,20,21)/p-2