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

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(3-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitro-phenyl)acetamide Formula: C14H12BrF3N4O4 MolecularWeight: 437.16869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrF3N4O4/c1-7-12(15)13(14(16,17)18)20-21(7)6-11(23)19-8-3-9(22(24)25)5-10(4-8)26-2/h3-5H,6H2,1-2H3,(H,19,23)