[3-{(E)-[(5-Nitro-2-Furyl)Methylene]Amino}-2-Oxotetrahydro-1(2H)-Pyrimidinyl]Methyl Cyclohexanecarboxylate

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Properties Simple | Detailed

Formula C17H22N4O6
IUPAC Name [3-[(e)-(5-nitro-2-furyl)methyleneamino]-2-oxo-hexahydropyrimidin-1-yl]methyl cyclohexanecarboxylate
Molecular Mass 378.380 g·mol−1
Heat of Formation -473.9 ± 16.7 kJ·mol−1
Dipole Moment 10.30 ± 1.08 D
Volume 428.66 Å 3
Surface Area 388.61 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(5-nitro-2-furanyl)methyleneamino)tetrahydropyrimidine-2-one methanol cyclohexanocarboxylate
  • [3-[(5-nitro-2-furyl)methyleneamino]-2-oxo-hexahydropyrimidin-1-yl]methyl cyclohexanecarboxylate
  • [3-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl cyclohexanecarboxylate
  • cyclohexanecarboxylic acid [2-keto-3-[(5-nitro-2-furyl)methyleneamino]hexahydropyrimidin-1-yl]methyl ester
  • cyclohexanecarboxylic acid [3-[(5-nitro-2-furyl)methyleneamino]-2-oxo-1-hexahydropyrimidinyl]methyl ester
  • cyclohexanecarboxylic acid, (tetrahydro-3-(((5-nitro-2-furanyl)methylene)amino)-2-oxo-1(2h)-pyrimidinyl)methyl ester
  • m 280
  • m-280
CAS Number(s)
  • 92950-22-6
InChIKey YJTSORYJNKURQF-WOJGMQOQSA-N
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