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

Systemtic Name: 1-[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C16H18F3N3O4 MolecularWeight: 373.32703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18F3N3O4/c1-2-3-4-12-10-15(24,16(17,18)19)21(20-12)14(23)9-11-5-7-13(8-6-11)22(25)26/h5-8,24H,2-4,9-10H2,1H3/t15-/m0/s1