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

Systemtic Name: 4-bromanyl-N-(2-cyano-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(2-cyano-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2-cyano-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(2-cyano-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2-cyano-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C13H7BrF3N5O3 MolecularWeight: 418.12559

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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-])C#N)Br)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrF3N5O3/c1-21-11(13(15,16)17)9(14)10(20-21)12(23)19-8-3-2-7(22(24)25)4-6(8)5-18/h2-4H,1H3,(H,19,23)