Isopropyl (4R)-4-(2,1,3-Benzoxadiazol-4-Yl)-2,6-Dimethyl-5-Nitro-1,4-Dihydro-3-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C17H18N4O5
IUPAC Name isopropyl (4r)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
Molecular Mass 358.349 g·mol−1
Heat of Formation -116.4 ± 16.7 kJ·mol−1
Dipole Moment 8.62 ± 1.08 D
Volume 402.35 Å 3
Surface Area 323.58 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid isopropyl ester
  • (4r)-4-benzofurazan-4-yl-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid isopropyl ester
  • 3-pyridinecarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-5-nitro-, 1-methylethyl ester, (r)-
  • bio1_000174
  • bio1_000663
  • bio1_001152
  • cbiol_001888
  • isopropyl (4r)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
  • propan-2-yl (4r)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
  • r202-791
  • s 202-791
  • san 202791
  • sandoz-202-791
  • sdz 202-791
CAS Number(s)
  • 97217-84-0
InChIKey LYFZEFDZKPJBJK-CQSZACIVSA-N
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