(3-Nitrobenzylidene)Malonic Acid Diethyl Ester
[CAS# 6331-45-9]

Identification

• Name: (3-Nitrobenzylidene)Malonic Acid Diethyl Ester
• Synonyms: Diethyl 2-[(3-Nitrophenyl)Methylidene]Propanedioate; 3-(3-Ethoxy-2-Ethoxycarbonyl-3-Oxoprop-1-Enyl)-N-Hydroxybenzeneamine Oxide; 3-(3-Ethoxy-2-Ethoxycarbonyl-3-Oxo-Prop-1-Enyl)-N-Hydroxy-Benzeneamine Oxide
• Molecular Formula: C₁₄H₁₅NO₆
• Molecular Weight: 293.28
• CAS Registry Number: 6331-45-9
• SMILES: C1=CC=C(C=C1C=C(C(OCC)=O)C(=O)OCC)[N+](=O)[O-]
• InChI: 1S/C14H15NO6/c1-3-20-13(16)12(14(17)21-4-2)9-10-6-5-7-11(8-10)15(18)19/h5-9H,3-4H2,1-2H3
• InChIKey: ADUOLQRHFZGDPM-UHFFFAOYSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 381.893°C at 760 mmHg (Cal.)
• Flash point: 149.439°C (Cal.)