3,5-dimethyl-4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole

Systemtic Name: 3,5-dimethyl-4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole Openeye Name: 3,5-dimethyl-4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole CAS Name: 3,5-dimethyl-4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole IUPAC Name: 3,5-dimethyl-4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole Traditional Name: 3,5-dimethyl-4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole Formula: C12H9F3N4O4 MolecularWeight: 330.21947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N4O4/c1-6-11(19(22)23)7(2)17(16-6)10-4-3-8(18(20)21)5-9(10)12(13,14)15/h3-5H,1-2H3