2-[5-azanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: 2-[5-azanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetate CAS Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetate IUPAC Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetate Formula: C5H4F3N4O2- MolecularWeight: 209.10607

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])N1C(=NC(=N1)C(F)(F)F)N

Isomeric SMILES

C(C(=O)[O-])N1C(=NC(=N1)C(F)(F)F)N

InChI

InChI=1S/C5H5F3N4O2/c6-5(7,8)3-10-4(9)12(11-3)1-2(13)14/h1H2,(H,13,14)(H2,9,10,11)/p-1