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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propionamide Formula: C21H18BrF3N4O5 MolecularWeight: 543.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C21H18BrF3N4O5/c1-12-19(22)20(21(23,24)25)27-28(12)8-7-18(30)26-13-9-14(29(31)32)11-17(10-13)34-16-5-3-15(33-2)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,26,30)