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

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-oxidanyl-phenyl)ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxy-5-nitro-phenyl)acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(3-hydroxy-5-nitrophenyl)acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxy-5-nitrophenyl)acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxy-5-nitro-phenyl)acetamide Formula: C13H10BrF3N4O4 MolecularWeight: 423.14211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrF3N4O4/c1-6-11(14)12(13(15,16)17)19-20(6)5-10(23)18-7-2-8(21(24)25)4-9(22)3-7/h2-4,22H,5H2,1H3,(H,18,23)