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4-Anilinomethylenepentenedioic Acid (5-Methyl Ester-[d5])

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4-Anilinomethylenepentenedioic Acid (5-Methyl Ester-[d5])

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General Information
Catalog: BLP-007725
CAS: 1185237-80-2
Molecular Formula: C13H8D5NO4
Molecular Weight: 252.28

Chemical Structure

Description	An isotopic analog of 4-Anilinomethylenepentenedioic Acid 5-Methyl Ester.
Synonyms	4-[(Phenylamino)methylene]-2-pentenedioic Acid 5-Methyl Ester-d5
IUPAC Name	(2E,4Z)-4-methoxycarbonyl-5-(2,3,4,5,6-pentadeuterioanilino)penta-2,4-dienoic acid
Related CAS	64972-00-5 (unlabelled)
Canonical SMILES	COC(=O)C(=CNC1=CC=CC=C1)C=CC(=O)O
InChI	InChI=1S/C13H13NO4/c1-18-13(17)10(7-8-12(15)16)9-14-11-5-3-2-4-6-11/h2-9,14H,1H3,(H,15,16)/b8-7+,10-9-/i2D,3D,4D,5D,6D
InChI Key	FJKGPQZCFBLFIG-GBDHNZSISA-N
Solubility	Soluble in Chloroform, Methanol
Appearance	Yellow Solid