Structure Information
Structure

Compound Identification

SMILES

O\C=C(/O)C(=O)C=O.CC(C)(C)CCNC(=O)OCCCC1=CN=CN1

InChIKey

InChIKey=AKBHEHYIBBRILG-FBJOJFRZSA-N

Formula

C17H27N3O6

Mass

369.418

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

Alpha-branched alpha,beta-unsaturated ketones

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Alpha-ketoaldehyde - Alpha-hydroxy ketone - Heteroaromatic compound - Azole - Vinylogous acid - Carbamic acid ester - Enone - Imidazole - Enediol - Ketone - Azacycle - Organoheterocyclic compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Short-chain aldehyde - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.

External Descriptors

Not available

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