diethyl 2-{[2-(2,4-dichlorophenoxy)anilino]methylidene}malonate (CHEBI:183385)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	diethyl 2-{[2-(2,4-dichlorophenoxy)anilino]methylidene}malonate

ChEBI ID	CHEBI:183385

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H19Cl2NO5

Net Charge

Average Mass

424.270

Monoisotopic Mass

423.06403

InChI

InChI=1S/C20H19Cl2NO5/c1-3-26-19(24)14(20(25)27-4-2)12-23-16-7-5-6-8-18(16)28-17-10-9-13(21)11-15(17)22/h5-12,23H,3-4H2,1-2H3

InChIKey

NCWXJHHBRHGAKK-UHFFFAOYSA-N

SMILES

ClC1=C(OC=2C(NC=C(C(OCC)=O)C(OCC)=O)=CC=CC2)C=CC(Cl)=C1

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

ChEBI Ontology
Outgoing	diethyl 2-{[2-(2,4-dichlorophenoxy)anilino]methylidene}malonate (CHEBI:183385) is a aromatic ether (CHEBI:35618)

IUPAC Name

diethyl 2-[[2-(2,4-dichlorophenoxy)anilino]methylidene]propanedioate