4-bromanyl-1-methyl-N-(5-nitro-2-oxidanyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-(5-nitro-2-oxidanyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(2-hydroxy-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2-hydroxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(2-hydroxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2-hydroxy-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C12H8BrF3N4O4 MolecularWeight: 409.11553

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br)C(F)(F)F

InChI

InChI=1S/C12H8BrF3N4O4/c1-19-10(12(14,15)16)8(13)9(18-19)11(22)17-6-4-5(20(23)24)2-3-7(6)21/h2-4,21H,1H3,(H,17,22)