(E)-Entacapone

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Properties Simple | Detailed

Formula C14H15N3O5
IUPAC Name (e)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-n,n-diethyl-prop-2-enamide
Molecular Mass 305.286 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 354.51 Å 3
Surface Area 313.79 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-n,n-diethyl-acrylamide
  • (e)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-n,n-diethyl-prop-2-enamide
  • (e)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-n,n-diethylprop-2-enamide
  • (e)-alpha-cyano-n,n-diethyl-3,4-dihydroxy-5-nitrocinnamamide
  • 2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-n,n-diethyl-acrylamide
  • 2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-n,n-diethyl-prop-2-enamide
  • 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-n,n-diethylprop-2-enamide
  • 2-cyano-n,n-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide
  • 2-propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-n,n-diethyl-
  • 2-propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-n,n-diethyl-, (2e)-
  • com-998
  • comtan
  • comtess
  • d00781
  • entacapone
  • entacapone (jan/usan/inn)
  • ls-123327
  • or 611
  • or-611
CAS Number(s)
  • 116314-67-1
  • 130929-57-6
InChIKey JRURYQJSLYLRLN-BJMVGYQFSA-N
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