Methyl N-{5-acetamido-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}-beta-alaninate
[CAS# 82463-26-1]

Identification

• Name: Methyl N-{5-acetamido-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}-beta-alaninate
• Synonyms: methyl N-[5-(acetylamino)-2-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-β-alaninate
• Molecular Formula: C₁₆H₁₈N₆O₅S
• Molecular Weight: 406.42
• CAS Registry Number: 82463-26-1
• EINECS: 279-969-9
• SMILES: COC(=O)CCNc2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2C
• InChI: 1S/C16H18N6O5S/c1-9-6-13(20-21-16-18-8-14(28-16)22(25)26)12(19-10(2)23)7-11(9)17-5-4-15(24)27-3/h6-8,17H,4-5H2,1-3H3,(H,19,23)
• InChIKey: OZOIMARDLZLAAP-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)