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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C13H8F3N5O3 MolecularWeight: 339.22953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F3N5O3/c1-20-11(13(14,15)16)5-10(19-20)12(22)18-9-3-2-8(21(23)24)4-7(9)6-17/h2-5H,1H3,(H,18,22)