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

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]acetamide Formula: C20H16BrF3N4O4 MolecularWeight: 513.26465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C

InChI

InChI=1S/C20H16BrF3N4O4/c1-11-4-3-5-15(6-11)32-16-8-13(7-14(9-16)28(30)31)25-17(29)10-27-12(2)18(21)19(26-27)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,29)