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

Systemtic Name: 4-(4-methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-(4-methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-(4-methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-(4-methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-(4-methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H9F3N4O3 MolecularWeight: 302.20937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C[N+](=O)[O-]

InChI

InChI=1S/C11H9F3N4O3/c1-21-8-4-2-7(3-5-8)18-9(6-17(19)20)15-16-10(18)11(12,13)14/h2-5H,6H2,1H3