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

Systemtic Name: 4-bromanyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole Openeye Name: 4-bromo-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole CAS Name: 4-bromo-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole IUPAC Name: 4-bromo-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole Traditional Name: 4-bromo-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-pyrazole Formula: C12H8BrF3N4O4 MolecularWeight: 409.11553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrF3N4O4/c1-5-10(13)6(2)18(17-5)11-8(19(21)22)3-7(12(14,15)16)4-9(11)20(23)24/h3-4H,1-2H3