4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C20H16BrF3N4O4 MolecularWeight: 513.26465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3C)C(F)(F)F)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3C)C(F)(F)F)Br)C

InChI

InChI=1S/C20H16BrF3N4O4/c1-10-4-11(2)6-14(5-10)32-15-8-12(7-13(9-15)28(30)31)25-19(29)17-16(21)18(20(22,23)24)26-27(17)3/h4-9H,1-3H3,(H,25,29)