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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CCCCC1=C[C@](N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)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/h5-8,10,20,24H,2-4,9H2,1H3/t15-/m1/s1