Methyl N-{3-Acetamido-4-[(2-Cyano-4-Nitrophenyl)Diazenyl]Phenyl}-N-(Methoxyacetyl)Glycinate
[CAS# 149850-30-6]

Identification

• Name: Methyl N-{3-Acetamido-4-[(2-Cyano-4-Nitrophenyl)Diazenyl]Phenyl}-N-(Methoxyacetyl)Glycinate
• Molecular Formula: C₂₁H₂₀N₆O₇
• Molecular Weight: 468.42
• CAS Registry Number: 149850-30-6
• SMILES: CC(=O)Nc1cc(ccc1N=Nc2ccc(cc2C#N)[N+](=O)[O-])N(CC(=O)OC)C(=O)COC
• InChI: 1S/C21H20N6O7/c1-13(28)23-19-9-15(26(11-21(30)34-3)20(29)12-33-2)4-7-18(19)25-24-17-6-5-16(27(31)32)8-14(17)10-22/h4-9H,11-12H2,1-3H3,(H,23,28)
• InChIKey: XYXHGTHVBHHUGB-UHFFFAOYSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 737.945°C at 760 mmHg (Cal.)
• Flash point: 400.095°C (Cal.)
• Refractive index: 1.616 (Cal.)