2-[4-(Diphenylmethyl)-1-Piperazinyl]Ethyl Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C23H17N4O6++
IUPAC Name nitronium; 2-(4-benzhydrylpyrazine-1,4-diium-1-yl)ethynyl 2-cyanoprop-2-enoate; molecular oxygen
Molecular Mass 445.404 g·mol−1
Heat of Formation 4701.8 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 517.81 Å 3
Surface Area 428.73 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -4.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid o3-[2-[4-[di(phenyl)methyl]-1-piperazinyl]ethyl] o5-methyl ester
  • 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid o3-[2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl] o5-methyl ester
  • 2-(4-(diphenylmethyl)-1-piperazinyl)ethylmethyl-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
  • 3,5-pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethylmethyl ester
  • diphpetmednp
CAS Number(s)
  • 104305-93-3
InChIKey MZPQQVUYDSUMHF-UHFFFAOYSA-N
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