Structure Information
Structure

Compound Identification

SMILES

COC(=O)CON=C(C#N)C#N

InChIKey

InChIKey=IWLRJTZAPNDBOW-UHFFFAOYSA-N

Formula

C6H5N3O3

Mass

167.124

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Carboxylic acid derivatives

Intermediate Tree Nodes

Carboxylic acid esters

Direct Parent

Methyl esters

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

Methyl ester - Oxime ether - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.

External Descriptors

Not available

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