4-[4-nitro-3-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 4-[4-nitro-3-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 4-[4-nitro-3-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 4-[4-nitro-3-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 4-[4-nitro-3-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 4-[4-nitro-3-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C9H5F3N4O2 MolecularWeight: 258.15681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NN=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C=NN=C2)C(F)(F)F)[N+](=O)[O-]

InChI

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