Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C#N)=C(N=[N+]=[N-])N=[N+]=[N-]

InChIKey

InChIKey=SCDAIFLSRKZZPS-UHFFFAOYSA-N

Formula

C5H3N7O2

Mass

193.126

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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 - Alpha,beta-unsaturated carboxylic esters

Direct Parent

Enoate esters

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

Methyl ester - Enoate ester - Azo compound - Azo imide - Ketene acetal or derivatives - Organoazide - Organic azide - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Cyanide - Organic cation - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.

External Descriptors

Not available

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