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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C13H10BrF3N4O3 MolecularWeight: 407.14271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrF3N4O3/c1-7-4-11(13(15,16)17)19-20(7)6-12(22)18-10-3-2-8(21(23)24)5-9(10)14/h2-5H,6H2,1H3,(H,18,22)