5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: 5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate Openeye Name: 5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate IUPAC Name: 5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate Formula: C4HF3N3O2- MolecularWeight: 180.06485

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Descriptors Computed from Structure

Canonical SMILES:

C1(=NNC(=N1)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1(=NNC(=N1)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C4H2F3N3O2/c5-4(6,7)3-8-1(2(11)12)9-10-3/h(H,11,12)(H,8,9,10)/p-1