Structure Information
Structure

Compound Identification

SMILES

C\C(N)=C(\C#N)C(=O)COC(=O)C1=COCCO1

InChIKey

InChIKey=FMMMLULNFYWARD-BQYQJAHWSA-N

Formula

C11H12N2O5

Mass

252.226

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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-acyloxy carbonyl compounds

Direct Parent

Alpha-acyloxy ketones

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Alpha-acyloxy ketone - Para-dioxin - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Vinylogous amide - Vinylogous ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Enamine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Cyanide - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Primary amine - Amine - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom).

External Descriptors

Not available

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