3-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole

Systemtic Name: 3-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole Formula: C9H5F3N4O2 MolecularWeight: 258.15681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C9H5F3N4O2/c10-9(11,12)8-13-7(14-15-8)5-2-1-3-6(4-5)16(17)18/h1-4H,(H,13,14,15)