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

Systemtic Name: 1-methyl-N-(5-nitro-2-oxidanyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C12H9F3N4O4 MolecularWeight: 330.21947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N4O4/c1-18-10(12(13,14)15)5-8(17-18)11(21)16-7-4-6(19(22)23)2-3-9(7)20/h2-5,20H,1H3,(H,16,21)