(2R)-2-(Nitrooxy)Propyl 3-(Nitrooxy)Propyl (4R)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C21H18N4O12+
IUPAC Name [1-[[(4s)-2,6-dimethyl-5-(3-nitrooxyprop-1-ynoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxymethyl]-2-oxo-vinyloxy]-oxido-azanide
Molecular Mass 518.387 g·mol−1
Heat of Formation -921.6 ± 16.7 kJ·mol−1
Dipole Moment 12.66 ± 1.08 D
Volume 574.49 Å 3
Surface Area 439.26 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[(2r)-2-nitrooxypropyl] o5-(3-nitrooxypropyl) ester
  • o3-[(2r)-2-nitrooxypropyl] o5-(3-nitrooxypropyl) (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey QSTCLWROWBZZLA-CWTRNNRKSA-N
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