N-[(1E)-1-Bromo-1-(2-Methoxyphenyl)-3-Oxo-3-(1-Piperidinyl)-1-Propen-2-Yl]-4-Nitrobenzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22BrN3O5
IUPAC Name [1-[bromo-(2-methoxyphenyl)methyl]-2-oxo-2-(1-piperidyl)ethylidene]-(4-nitrobenzoyl)ammonium
Molecular Mass 488.331 g·mol−1
Heat of Formation 3098.2 ± 16.7 kJ·mol−1
Dipole Moment 8.39 ± 1.08 D
Volume 438.61 Å 3
Surface Area 368.3 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -3.30 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(z)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide
  • n-[(z)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide
  • n-[(z)-2-bromo-2-(2-methoxyphenyl)-1-[oxo-(1-piperidyl)methyl]vinyl]-4-nitrobenzamide
InChIKey OQIUTYABZMBBME-VXPUYCOJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O Br N