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

Systemtic Name: 2-(4-nitrophenoxy)-1-[(5S)-5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenoxy)ethanone Formula: C15H16F3N3O5 MolecularWeight: 375.29985

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16F3N3O5/c1-2-3-10-8-14(23,15(16,17)18)20(19-10)13(22)9-26-12-6-4-11(5-7-12)21(24)25/h4-7,23H,2-3,8-9H2,1H3/t14-/m0/s1