1-[3-ethylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[3-ethylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)-1-pyrazolidinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C14H14F3N3O4 MolecularWeight: 345.27387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1CC(N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC=C1CC(N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C14H14F3N3O4/c1-2-10-8-13(22,14(15,16)17)19(18-10)12(21)7-9-3-5-11(6-4-9)20(23)24/h2-6,18,22H,7-8H2,1H3