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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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