(4-Nitrophenyl)Methyl (2S)-2-(1,3-Dioxoisoindol-2-Yl)-6-Oxohexanoate
[CAS# 121145-63-9]

Identification

• Name: (4-Nitrophenyl)Methyl (2S)-2-(1,3-Dioxoisoindol-2-Yl)-6-Oxohexanoate
• Synonyms: (4-Nitrophenyl)Methyl (2S)-2-(1,3-Dioxoisoindolin-2-Yl)-6-Oxo-Hexanoate; (2S)-2-(1,3-Dioxo-2-Isoindolinyl)-6-Oxohexanoic Acid (4-Nitrophenyl)Methyl Ester; (2S)-2-(1,3-Diketoisoindolin-2-Yl)-6-Keto-Hexanoic Acid (4-Nitrobenzyl) Ester
• Molecular Formula: C₂₁H₁₈N₂O₇
• Molecular Weight: 410.38
• CAS Registry Number: 121145-63-9
• SMILES: [C@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])(N3C(=O)C2=CC=CC=C2C3=O)CCCC=O
• InChI: 1S/C21H18N2O7/c24-12-4-3-7-18(22-19(25)16-5-1-2-6-17(16)20(22)26)21(27)30-13-14-8-10-15(11-9-14)23(28)29/h1-2,5-6,8-12,18H,3-4,7,13H2/t18-/m0/s1
• InChIKey: ZGQURRYRRUOFFU-SFHVURJKSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 606.379°C at 760 mmHg (Cal.)
• Flash point: 320.527°C (Cal.)