5-Methyl-1-(4-Nitrophenyl)-2-Oxo-2,5-Dihydro-1H-Pyrido(3,2-B)Indole-3-Carbonitrile

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Formula C19H22N4O3
IUPAC Name 5-methyl-1-(4-nitrophenyl)-2-oxo-6,7,8,9-tetrahydro-4h-pyrido[3,2-b]indole-3,4,4a,5a,6,7,8,9,9a,9b-decaide-3-carbonitrile
Molecular Mass 354.403 g·mol−1
Heat of Formation 317.2 ± 16.7 kJ·mol−1
Dipole Moment 10.68 ± 1.08 D
Volume 383.76 Å 3
Surface Area 335.59 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrido[3,2-b]indole-3-carbonitrile, 2,5-dihydro-5-methyl-1-(4-nitrophenyl)-2-oxo-
  • 2-keto-5-methyl-1-(4-nitrophenyl)pyrido[5,6-b]indole-3-carbonitrile
  • 5-methyl-1-(4-nitrophenyl)-2-oxo-3-pyrido[5,6-b]indolecarbonitrile
  • 5-methyl-1-(4-nitrophenyl)-2-oxo-pyrido[5,6-b]indole-3-carbonitrile
  • chemdiv1_023499
  • oprea1_689827
  • vrx-413638
InChIKey TZEXGCXFOXXFKH-UHFFFAOYSA-N
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