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CHEBI:39844 - (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE

Default Structure
ChEBI IDCHEBI:39844
ChEBI Name(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H15IN2O2
Net Charge0
Average Mass406.223
Monoisotopic Mass406.01783
SMILES[H]/C(C#N)=C(/[H])c1c([H])c([H])c([H])c(Oc2c(C([H])([H])C([H])([H])[H])c(C([H])([H])[H])n([H])c(=O)c2I)c1[H]
InChIInChI=1S/C17H15IN2O2/c1-3-14-11(2)20-17(21)15(18)16(14)22-13-8-4-6-12(10-13)7-5-9-19/h4-8,10H,3H2,1-2H3,(H,20,21)/b7-5+
InChIKeyXMFUXIRAVPMVRS-FNORWQNLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE (CHEBI:39844) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILEPDBeChem
(2E)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}prop-2-enenitrilePDBeChem
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