N-Methyl-7-Nitro-2-Oxo-5-Phenyl-2,3-Dihydro-1H-1,4-Benzodiazepine-1-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C17H14N4O4
IUPAC Name n-methyl-7-nitro-2-oxo-5-phenyl-3h-1,4-benzodiazepine-1-carboxamide
Molecular Mass 338.317 g·mol−1
Heat of Formation -69.0 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 372.34 Å 3
Surface Area 325.89 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,4-benzodiazepine-1-carboxamide, 2,3-dihydro-n-methyl-7-nitro-2-oxo-5-phenyl
  • 1h-1,4-benzodiazepine-1-carboxamide, 2,3-dihydro-n-methyl-7-nitro-2-oxo-5-phenyl-
  • 2,3-dihydro-n-methyl-7-nitro-2-oxo-5-phenyl-1h-1,4-benzodiazepine-1-carboxamide
  • 2-keto-n-methyl-7-nitro-5-phenyl-3h-1,4-benzodiazepine-1-carboxamide
  • d 58si
  • n-methyl-7-nitro-2-oxo-5-phenyl-3h-1,4-benzodiazepine-1-carboxamide
CAS Number(s)
  • 27016-91-7
InChIKey PDLWQTVMGHECQL-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N