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

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Properties Simple | Detailed

Formula C18H20N4O3
IUPAC Name 1-(4-nitrophenyl)-2-oxo-4,5,6,7,8,9-hexahydropyrido[3,2-b]indole-3,4,4a,5a,6,7,8,9,9a,9b-decaide-3-carbonitrile
Molecular Mass 340.376 g·mol−1
Heat of Formation 317.5 ± 16.7 kJ·mol−1
Dipole Moment 9.84 ± 1.08 D
Volume 360.34 Å 3
Surface Area 318.76 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-nitrophenyl)-2-oxo-5h-pyrido[5,6-b]indole-3-carbonitrile
  • 1h-pyrido[3,2-b]indole-3-carbonitrile, 2,5-dihydro-1-(4-nitrophenyl)-2-oxo-
  • 2-keto-1-(4-nitrophenyl)-5h-pyrido[5,6-b]indole-3-carbonitrile
  • bim-0041505.p001
  • cbmicro_041393
  • chemdiv1_023455
  • oprea1_328611
  • vrx-329747
InChIKey RGQQFAFUXNUEMQ-UHFFFAOYSA-N
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