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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propionamide Formula: C23H20BrF3N4O4 MolecularWeight: 553.32851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

InChI

InChI=1S/C23H20BrF3N4O4/c1-12-4-3-5-17(8-12)35-18-10-15(9-16(11-18)31(33)34)28-22(32)13(2)30-20(14-6-7-14)19(24)21(29-30)23(25,26)27/h3-5,8-11,13-14H,6-7H2,1-2H3,(H,28,32)