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

Systemtic Name: 1-[3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C14H14F3N3O4 MolecularWeight: 345.27387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N3O4/c1-2-10-8-13(22,14(15,16)17)19(18-10)12(21)7-9-3-5-11(6-4-9)20(23)24/h3-6,22H,2,7-8H2,1H3