2-(4-Methylphenyl)-2-Oxoethyl 3-[(2,4-Dinitrobenzoyl)Amino]Benzoate

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Properties Simple | Detailed

Formula C23H17N3O8
IUPAC Name [2-oxo-2-(p-tolyl)ethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate
Molecular Mass 463.396 g·mol−1
Heat of Formation -370.7 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 506.16 Å 3
Surface Area 455.17 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-methylphenyl)-2-oxoethyl 3-({2,4-dinitrobenzoyl}amino)benzoate
  • 3-[(2,4-dinitrobenzoyl)amino]benzoic acid [2-keto-2-(4-methylphenyl)ethyl] ester
  • 3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester
  • [2-(4-methylphenyl)-2-oxo-ethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate
  • [2-(4-methylphenyl)-2-oxo-ethyl] 3-[(2,4-dinitrophenyl)carbonylamino]benzoate
  • ak-918/11884136
  • oprea1_340477
InChIKey XVUOIWIIQVGWAJ-UHFFFAOYSA-N
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