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CHEBI:83426 - (E)-dimethomorph

ChEBI IDCHEBI:83426
ChEBI Name(E)-dimethomorph
Stars
ASCII Name(E)-dimethomorph
DefinitionAn enamide resulting from the formal condensation of (2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity.
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H22ClNO4
Net Charge0
Average Mass387.863
Monoisotopic Mass387.12374
SMILESCOc1ccc(/C(=C/C(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
InChIKeyQNBTYORWCCMPQP-NBVRZTHBSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-dimethomorph (CHEBI:83426) is a aromatic ether (CHEBI:35618)
(E)-dimethomorph (CHEBI:83426) is a enamide (CHEBI:51751)
(E)-dimethomorph (CHEBI:83426) is a monochlorobenzenes (CHEBI:83403)
(E)-dimethomorph (CHEBI:83426) is a morpholines (CHEBI:38785)
(E)-dimethomorph (CHEBI:83426) is a tertiary carboxamide (CHEBI:140326)
Incoming Relation(s)
dimethomorph (CHEBI:81848) has part (E)-dimethomorph (CHEBI:83426)
IUPAC Name 
(2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one
Synonyms  Source
E-DimethomorphChemIDplus
Dimethomorph EChemIDplus
Registry NumbersSources
Reaxys:8794474Reaxys
CAS:113210-97-2ChemIDplus
Citations