(4Z)-2-Isopropyl-5-Methyl-4-{[(2-Methylbenzoyl)Oxy]Imino}-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C18H19NO3
IUPAC Name [(z)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
Molecular Mass 297.348 g·mol−1
Heat of Formation -185.5 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 373.11 Å 3
Surface Area 328.32 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylbenzoic acid [(5-isopropyl-2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
  • 2-methylbenzoic acid [(5-isopropyl-4-keto-2-methyl-1-cyclohexa-2,5-dienylidene)amino] ester
  • [(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] 2-methylbenzoate
  • [(5-isopropyl-2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] 2-methylbenzoate
InChIKey CMOJHDQJJPIVEC-MNDPQUGUSA-N
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