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2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester-[d6]

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General Information
Catalog: BLP-007723
CAS: 1185235-10-2
Molecular Formula: C17H13D6NO7
Molecular Weight: 355.37

Chemical Structure

Description	2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester is used as a vasodilator, an antihypertensive, and a spasmolytic.
Synonyms	2-[(2-Nitrophenyl)methylene]-3-oxo-butanoic Acid 2-(Acetyloxy)-2-methylpropyl Ester-d6
IUPAC Name	[2-acetyloxy-3,3,3-trideuterio-2-(trideuteriomethyl)propyl] (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
Related CAS	106685-67-0 (unlabelled)
Canonical SMILES	CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC(C)(C)OC(=O)C
InChI	InChI=1S/C17H19NO7/c1-11(19)14(9-13-7-5-6-8-15(13)18(22)23)16(21)24-10-17(3,4)25-12(2)20/h5-9H,10H2,1-4H3/b14-9-/i3D3,4D3
InChI Key	FFIBYMHZCNFTRU-GBBWITOISA-N
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Light Yellow Oil