2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-(5-methyl-3,4-dinitro-1-pyrazolyl)-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C13H10F3N5O6 MolecularWeight: 389.24361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10F3N5O6/c1-7-11(20(23)24)12(21(25)26)18-19(7)6-10(22)17-8-2-4-9(5-3-8)27-13(14,15)16/h2-5H,6H2,1H3,(H,17,22)