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

Systemtic Name: 1-[3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C18H20F3N3O4 MolecularWeight: 399.36431

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20F3N3O4/c19-18(20,21)17(26)11-15(13-4-2-1-3-5-13)22-23(17)16(25)10-12-6-8-14(9-7-12)24(27)28/h6-9,13,26H,1-5,10-11H2