2,2-Dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione

Also Known As: NCI60_002487|AE-641/01120036|5-({5-nitro-2-thienyl}methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|2,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione|1,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thienyl)methylene]-|2,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxa|1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thienyl)methylene]-|2,2-dimethyl-5-[(5-nitro-2-thienyl)methylene]-1,3-dioxane-4,6-dione|2,2-DIMETHYL-5-((5-NITRO-2-THIENYL)METHYLENE)-1,3-DIOXANE-4,6-DIONE

Molecular Formula	C11H9NO6S
Molecular Weight	283.01505 g/mol
LogP	2.6
Topological Polar Surface Area	127.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	283.01505
Monoisotopic Mass	283.01505
Heavy Atoms	19
Complexity	444.0

Chemical Identifiers

CAS Number	62390-99-2
SMILES	CC1(OC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O1)C
InChIKey	CISOKWVGMLHGBN-UHFFFAOYSA-N