Mls002703955

5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

Also Known As: CBDivE_005651|CBDivE_008888|5-(2-Nitrobenzylidene)barbituric acid|5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione|5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione|BAS 00284693|J1.943.280G|5-(2-nitrobenzylidene)pyrimidin-2,4,6-trione|5-(2-Nitro-benzylidene)-pyrimidine-2,4,6-trione|AE-848/30739041|AF-684/00243009|2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[(2-nitrophenyl)methylene]-|5-{2-nitrobenzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione|5-(2-nitrobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione|5-[(2-nitrophenyl)methylene]hexahydropyrimidine-2,4,6-trione|5-[(2-nitrophenyl)methylene]-1,3-dihydropyrimidine-2,4,6-trione|5-(2-(Hydroxy(oxido)amino)benzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione

Molecular Formula	C11H7N3O5
Molecular Weight	261.03857 g/mol
LogP	0.8
Topological Polar Surface Area	121.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	261.03857
Monoisotopic Mass	261.03857
Heavy Atoms	19
Complexity	457.0

Chemical Identifiers

CAS Number	26908-37-2
SMILES	C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]
InChIKey	QDAXQIQSXPIHRT-UHFFFAOYSA-N