Methyl 2-[5-Acetamido-4-(2-Chloro-6-Cyano-4-Nitro-Phenyl)Azo-2-Methoxy-N-(2-Methoxy-2-Oxo-Ethyl)Anilino]Propanoate
[CAS# 204277-61-2]

Identification

• Name: Methyl 2-[5-Acetamido-4-(2-Chloro-6-Cyano-4-Nitro-Phenyl)Azo-2-Methoxy-N-(2-Methoxy-2-Oxo-Ethyl)Anilino]Propanoate
• Synonyms: Alanine, N-[5-(acetylamino)-4-[(2-chloro-6-cyano-4-nitrophenyl)azo]-2-methoxyphenyl]-N-(2-methoxy-2-oxoethyl)-, methyl ester
• Molecular Formula: C₂₃H₂₃ClN₆O₈
• Molecular Weight: 546.92
• CAS Registry Number: 204277-61-2
• SMILES: CC(C(=O)OC)N(CC(=O)OC)c1cc(c(cc1OC)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])C#N)NC(=O)C
• InChI: 1S/C23H23ClN6O8/c1-12(23(33)38-5)29(11-21(32)37-4)19-8-17(26-13(2)31)18(9-20(19)36-3)27-28-22-14(10-25)6-15(30(34)35)7-16(22)24/h6-9,12H,11H2,1-5H3,(H,26,31)
• InChIKey: WMGAWENFKFQMMN-UHFFFAOYSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 757.872°C at 760 mmHg (Cal.)
• Flash point: 412.146°C (Cal.)
• Refractive index: 1.609 (Cal.)