4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CHEBI:189389)

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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	4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

ChEBI ID	CHEBI:189389

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H13N3O3

Net Charge

Average Mass

283.287

Monoisotopic Mass

283.09569

InChI

InChI=1S/C15H13N3O3/c1-15(9-4-3-5-10(6-9)21-2)11(7-16)13(19)18-14(20)12(15)8-17/h3-6,11-12H,1-2H3,(H,18,19,20)

InChIKey

NPCGYISYZNPYHX-UHFFFAOYSA-N

SMILES

O=C1NC(=O)C(C(C1C#N)(C2=CC(OC)=CC=C2)C)C#N

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CHEBI:189389) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile