1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole Formula: C12H9F3N4O4 MolecularWeight: 330.21947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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