4-methyl-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Formula: C5H5F3N4O2 MolecularWeight: 210.11401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(F)(F)F)C[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1C(F)(F)F)C[N+](=O)[O-]

InChI

InChI=1S/C5H5F3N4O2/c1-11-3(2-12(13)14)9-10-4(11)5(6,7)8/h2H2,1H3