1-[5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]ethanone

Systemtic Name: 1-[5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]ethanone Openeye Name: 1-[5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazol-4-yl]ethanone CAS Name: 1-[5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-triazolyl]ethanone IUPAC Name: 1-[5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazol-4-yl]ethanone Traditional Name: 1-[5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazol-4-yl]ethanone Formula: C12H9F3N4O3 MolecularWeight: 314.22007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(N=NN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C12H9F3N4O3/c1-6-11(7(2)20)16-17-18(6)9-4-3-8(12(13,14)15)5-10(9)19(21)22/h3-5H,1-2H3