Diethyl 2-[(2-Nitrophenyl)Methylidene]Propanedioate
[CAS 17422-56-9]

Identification

• Name: Diethyl 2-[(2-Nitrophenyl)Methylidene]Propanedioate
• Synonyms: 2-(3-Ethoxy-2-Ethoxycarbonyl-3-Oxoprop-1-Enyl)-N-Hydroxybenzeneamine Oxide; Diethyl 2-[[2-(Hydroxy-Oxidoamino)Phenyl]Methylidene]Propanedioate; Diethyl 2-[(2-Nitrophenyl)Methylene]Propanedioate
• Molecular Formula: C₁₄H₁₅NO₆
• Molecular Weight: 293.28
• CAS Registry Number: 17422-56-9
• SMILES: C1=CC=CC(=C1[N+]([O-])=O)C=C(C(=O)OCC)C(=O)OCC
• InChI: 1S/C14H15NO6/c1-3-20-13(16)11(14(17)21-4-2)9-10-7-5-6-8-12(10)15(18)19/h5-9H,3-4H2,1-2H3
• InChIKey: BLHLIGAACQEKRY-UHFFFAOYSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 388.69°C at 760 mmHg (Cal.)
• Flash point: 153.804°C (Cal.)

References

• (1): S. Thenmozhi, S. Ranjith, A. SubbiahPandi, V. Dhayalan and A. K. MohanaKrishnan . Diethyl 2-(2-nitrobenzylidene)malonate , Acta Cryst (2009). E65, o2209Â Â