(5Z)-5-(3-Chloro-4-Hydroxy-6-Oxo-2,4-Cyclohexadien-1-Ylidene)-N-Ethyl-4-(4-Methoxyphenyl)-2,5-Dihydro-1,2-Oxazole-3-Carboxamide

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Properties Simple | Detailed

Formula C19H17ClN2O5
IUPAC Name (5z)-5-(3-chloro-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
Molecular Mass 388.802 g·mol−1
Heat of Formation -432.7 ± 16.7 kJ·mol−1
Dipole Moment 9.66 ± 1.08 D
Volume 430.55 Å 3
Surface Area 361.89 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-(3-chloro-4-hydroxy-6-keto-1-cyclohexa-2,4-dienylidene)-n-ethyl-4-(4-methoxyphenyl)-2h-isoxazole-3-carboxamide
  • (5z)-5-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-n-ethyl-4-(4-methoxyphenyl)-2h-1,2-oxazole-3-carboxamide
  • (5z)-5-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-n-ethyl-4-(4-methoxyphenyl)-2h-isoxazole-3-carboxamide
  • 2gg
InChIKey DGNFSLDDDQFHNU-PDGQHHTCSA-N
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Elements H C N O Cl