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

Systemtic Name: 4-bromanyl-N-(2-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(2-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2-methoxy-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(2-methoxy-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C13H10BrF3N4O4 MolecularWeight: 423.14211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrF3N4O4/c1-20-11(13(15,16)17)9(14)10(19-20)12(22)18-7-4-3-6(21(23)24)5-8(7)25-2/h3-5H,1-2H3,(H,18,22)