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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(N(N1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)(C(F)(F)F)O

InChI

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