1-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4/c1-8-7-12(21,13(14,15)16)18(17-8)11(20)6-9-2-4-10(5-3-9)19(22)23/h2-5,21H,6-7H2,1H3