4-bromanyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H14BrF3N6O3 MolecularWeight: 487.23067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)C)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)C)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrF3N6O3/c1-8-13(22-16(28)14-12(18)15(24-23-14)27(29)30)9(2)26(25-8)7-10-4-3-5-11(6-10)17(19,20)21/h3-6H,7H2,1-2H3,(H,22,28)(H,23,24)