(4-methyl-3-nitro-phenyl)-[5-methyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[5-methyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: [3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [5-hydroxy-3-methyl-5-(trifluoromethyl)-3-pyrazolin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C13H12F3N3O4 MolecularWeight: 331.24729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(C=C(N2)C)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(C=C(N2)C)(C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4/c1-7-3-4-9(5-10(7)19(22)23)11(20)18-12(21,13(14,15)16)6-8(2)17-18/h3-6,17,21H,1-2H3