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CHEBI:63927 - cinidon ethyl

Default Structure
ChEBI IDCHEBI:63927
ChEBI Namecinidon ethyl
Stars
DefinitionA carboxylic ester and organochlorine compound that is the ethyl ester of cinidon.
Last Modified2 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC19H17Cl2NO4
Net Charge0
Average Mass394.254
Monoisotopic Mass393.05346
SMILESCCOC(=O)/C(Cl)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl
InChIInChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10-
InChIKeyNNKKTZOEKDFTBU-YBEGLDIGSA-N
Roles Classification
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
cinidon ethyl (CHEBI:63927) has role herbicide (CHEBI:24527)
cinidon ethyl (CHEBI:63927) is a ethyl ester (CHEBI:23990)
cinidon ethyl (CHEBI:63927) is a isoindoles (CHEBI:24897)
cinidon ethyl (CHEBI:63927) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate
Synonyms  Source
cinidon-ethylChEBI
ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylateIUPAC
Manual XrefsDatabases
162PPDB
DE3603789Patent
US5062884Patent
Registry NumbersSources
Reaxys:8446817Reaxys
CAS:132057-06-8ChemIDplus
CAS:142891-20-1ChemIDplus