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

Systemtic Name: 1-[(5S)-3-cyclopropyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C15H14F3N3O4 MolecularWeight: 357.28457

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN([C@](C2)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14F3N3O4/c16-15(17,18)14(23)8-12(10-3-4-10)19-20(14)13(22)7-9-1-5-11(6-2-9)21(24)25/h1-2,5-6,10,23H,3-4,7-8H2/t14-/m0/s1