CHEBI:83426 - (E)-dimethomorph

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ChEBI Name (E)-dimethomorph ChEBI ID CHEBI:83426 ChEBI ASCII Name (E)-dimethomorph Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H22ClNO4 Net Charge 0 Average Mass 387.85700 Monoisotopic Mass 387.12374 InChI InChI=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+ InChIKey QNBTYORWCCMPQP-NBVRZTHBSA-N SMILES COc1ccc(cc1OC)C(=C\C(=O)N1CCOCC1)\c1ccc(Cl)cc1 ChEBI Ontology Outgoing (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 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 Sources Dimethomorph E ChemIDplus E-Dimethomorph ChemIDplus Registry Numbers Types Sources 113210-97-2 CAS Registry Number ChemIDplus 8794474 Reaxys Registry Number Reaxys Citations Types Sources 12033804 PubMed citation Europe PMC 20623489 PubMed citation Europe PMC 22902184 PubMed citation Europe PMC 23496017 PubMed citation Europe PMC Last Modified 07 March 2018