[3-ethylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [3-ethylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(3-nitrophenyl)methanone CAS Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)-1-pyrazolidinyl]-(3-nitrophenyl)methanone IUPAC Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(3-nitrophenyl)methanone Formula: C13H12F3N3O4 MolecularWeight: 331.24729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O4/c1-2-9-7-12(21,13(14,15)16)18(17-9)11(20)8-4-3-5-10(6-8)19(22)23/h2-6,17,21H,7H2,1H3