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

Systemtic Name: 4-bromanyl-N-(2-chloranyl-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(2-chloro-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2-chloro-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(2-chloro-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2-chloro-5-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C12H7BrClF3N4O3 MolecularWeight: 427.56119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7BrClF3N4O3/c1-20-10(12(15,16)17)8(13)9(19-20)11(22)18-7-4-5(21(23)24)2-3-6(7)14/h2-4H,1H3,(H,18,22)