5-(2-oxidanidyl-2-oxidanylidene-ethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-(2-oxidanidyl-2-oxidanylidene-ethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: 5-(2-oxido-2-oxo-ethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 5-(2-oxido-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-4-triazolecarboxylate IUPAC Name: 5-(2-oxido-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 5-(2-keto-2-oxido-ethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Formula: C12H6F3N3O4-2 MolecularWeight: 313.18895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)[O-])CC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)[O-])CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H8F3N3O4/c13-12(14,15)6-2-1-3-7(4-6)18-8(5-9(19)20)10(11(21)22)16-17-18/h1-4H,5H2,(H,19,20)(H,21,22)/p-2