2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C13H9BrClF3N4O3 MolecularWeight: 441.58777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(F)(F)F)Br

InChI

InChI=1S/C13H9BrClF3N4O3/c1-6-11(14)12(13(16,17)18)20-21(6)5-10(23)19-9-3-2-7(22(24)25)4-8(9)15/h2-4H,5H2,1H3,(H,19,23)