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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-(2-methyl-4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C12H9F3N4O3 MolecularWeight: 314.22007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NNC(=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NNC(=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N4O3/c1-6-4-7(19(21)22)2-3-8(6)16-11(20)9-5-10(18-17-9)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,18)