1,1-dimethyl-5-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-3-olate

Systemtic Name: 1,1-dimethyl-5-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-3-olate Openeye Name: 1,1-dimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-3-olate CAS Name: 1,1-dimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-3-olate IUPAC Name: 1,1-dimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-3-olate Traditional Name: 5-keto-1,1-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-3-olate Formula: C11H10F3N3O2 MolecularWeight: 273.21121

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)N(C(=N1)[O-])C2=CC=CC=C2C(F)(F)F)C

Isomeric SMILES

C[N+]1(C(=O)N(C(=N1)[O-])C2=CC=CC=C2C(F)(F)F)C

InChI

InChI=1S/C11H10F3N3O2/c1-17(2)10(19)16(9(18)15-17)8-6-4-3-5-7(8)11(12,13)14/h3-6H,1-2H3