1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-bromanyl-3-tert-butyl-4-nitro-pyrazole

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-bromanyl-3-tert-butyl-4-nitro-pyrazole Openeye Name: 5-bromo-3-tert-butyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole CAS Name: 5-bromo-3-tert-butyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazole IUPAC Name: 5-bromo-3-tert-butyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazole Traditional Name: 5-bromo-3-tert-butyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole Formula: C14H11BrCl2F3N3O2 MolecularWeight: 461.06125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])Br)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])Br)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

InChI

InChI=1S/C14H11BrCl2F3N3O2/c1-13(2,3)11-10(23(24)25)12(15)22(21-11)9-7(16)4-6(5-8(9)17)14(18,19)20/h4-5H,1-3H3