Diethyl 2-[(5-Nitro-1H-Indol-3-Yl)Methyl]Propanedioate
[CAS# 93020-27-0]

Identification

• Name: Diethyl 2-[(5-Nitro-1H-Indol-3-Yl)Methyl]Propanedioate
• Synonyms: 2-[(5-Nitro-1H-Indol-3-Yl)Methyl]Propanedioic Acid Diethyl Ester; 2-[(5-Nitro-1H-Indol-3-Yl)Methyl]Malonic Acid Diethyl Ester; Nciopen2_009373
• Molecular Formula: C₁₆H₁₈N₂O₆
• Molecular Weight: 334.33
• CAS Registry Number: 93020-27-0
• SMILES: C1=CC(=CC2=C1[NH]C=C2CC(C(=O)OCC)C(=O)OCC)[N+]([O-])=O
• InChI: 1S/C16H18N2O6/c1-3-23-15(19)13(16(20)24-4-2)7-10-9-17-14-6-5-11(18(21)22)8-12(10)14/h5-6,8-9,13,17H,3-4,7H2,1-2H3
• InChIKey: CWOWTBUJIGHWHF-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 499.755°C at 760 mmHg (Cal.)
• Flash point: 256.043°C (Cal.)