Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC(=O)C(=C2NC(C#N)=C(N2)C#N)C(=O)O1

InChIKey

InChIKey=ACJAPWYOJXYUMI-UHFFFAOYSA-N

Formula

C11H8N4O4

Mass

260.209

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Ethers

Intermediate Tree Nodes

Acetals

Direct Parent

Ketals

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Ketal - Meta-dioxane - Dicarboxylic acid or derivatives - 4-imidazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Lactone - Carboxylic acid derivative - Enamine - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Cyanide - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.

External Descriptors

Not available

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