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2-(Methoxycarbonyl)-3-Methylquinoxalinediium-1,4-Diolate
[CAS# 40016-70-4]

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Identification
Name 2-(Methoxycarbonyl)-3-Methylquinoxalinediium-1,4-Diolate
Synonyms 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
Molecular Structure CAS#: 40016-70-4, 2-(Methoxycarbonyl)-3-Methylquinoxalinediium-1,4-Diolate
Molecular Formula C11H10N2O4
Molecular Weight 234.21
CAS Registry Number 40016-70-4
SMILES C1=C2C(=CC=C1)[N+](=C(C)C(=[N+]2[O-])C(OC)=O)[O-]
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
InChIKey SSXXUNNLZOOPGP-UHFFFAOYSA-N
References
(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
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