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

Systemtic Name: 4-(4-methylphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-(nitromethyl)-4-(p-tolyl)-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-(nitromethyl)-4-(p-tolyl)-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H9F3N4O2 MolecularWeight: 286.20997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C[N+](=O)[O-]

InChI

InChI=1S/C11H9F3N4O2/c1-7-2-4-8(5-3-7)18-9(6-17(19)20)15-16-10(18)11(12,13)14/h2-5H,6H2,1H3