[7-(1H-Imidazol-1-Yl)-6-Nitro-2,3-Dioxo-3,4-Dihydro-1(2H)-Quinoxalinyl]Acetic Acid

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Properties Simple | Detailed

Formula C13H9N5O6
IUPAC Name 2-[7-(4h-imidazol-3-ium-4-ylium-3-yl)-6-nitro-2,3-dioxo-quinoxalin-1-yl]acetic acid
Molecular Mass 331.240 g·mol−1
Heat of Formation -357.6 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 339.36 Å 3
Surface Area 301.14 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3-dioxo-7-(1h-imidazol-1-yl)-6-nitro-1,2,3,4-tetrahydro-1-quinoxalinyl)acetic acid monohydrate
  • 1(2h)-quinoxalineacetic acid, 3,4-dihydro-7-(1h-imidazol-1-yl)-6-nitro-2,3-dihydro-
  • 2-(7-imidazol-1-yl-2,3-diketo-6-nitro-4h-quinoxalin-1-yl)acetic acid
  • 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4h-quinoxalin-1-yl)acetic acid
  • 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4h-quinoxalin-1-yl)ethanoic acid
  • 2-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4h-quinoxalin-1-yl]acetic acid
  • 7-(1h-imidazol-1-yl)-6-nitro-2,3-dioxo-3,4-dihydro-1(2h)-quinoxalineacetic acid
  • ym 872
  • ym-872
  • ym872
  • zonampanel
CAS Number(s)
  • 210245-80-0
InChIKey SPXYHZRWPRQLNS-UHFFFAOYSA-N
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