2-(甲氧羰基)-3-甲基喹喔啉二鎓-1,4-二醇
[CAS# 40016-70-4]

基本信息

• 产品名称: 2-(甲氧羰基)-3-甲基喹喔啉二鎓-1,4-二醇
• 英文名: 2-(Methoxycarbonyl)-3-Methylquinoxalinediium-1,4-Diolate
• 别名: Methyl 3-Methyl-4-Oxido-1-Oxo-Quinoxalin-1-Ium-2-Carboxylate; 3-Methyl-4-Oxido-1-Oxo-2-Quinoxalin-1-Iumcarboxylic Acid Methyl Ester; 1-Keto-3-Methyl-4-Oxido-Quinoxalin-1-Ium-2-Carboxylic Acid Methyl Ester
• 分子式: C₁₁H₁₀N₂O₄
• 分子量: 234.21
• CAS 登录号: 40016-70-4
• 分子行输入简码 SMILES: C1=C2C(=CC=C1)[N+](=C(C)C(=[N+]2[O-])C(OC)=O)[O-]
• 国际化学标识码 InChI: 1S/C11H10N2O4/c1-7-10(11(14)17-2)13(16)9-6-4-3-5-8(9)12(7)15/h3-6H,1-2H3
• 国际化学标识检索码 InChIKey: SSXXUNNLZOOPGP-UHFFFAOYSA-N

参考文献

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370