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

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C14H12BrF3N4O3 MolecularWeight: 421.16929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrF3N4O3/c1-7-3-4-9(10(5-7)22(24)25)19-11(23)6-21-8(2)12(15)13(20-21)14(16,17)18/h3-5H,6H2,1-2H3,(H,19,23)