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Structure Information
Structure

Compound Identification

SMILES

CC(CO[N+]([O-])=O)=CC=O

InChIKey

InChIKey=FHQODWHGFJXLCS-UHFFFAOYSA-N

Formula

C5H7NO4

Mass

145.114

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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 aldehydes

Direct Parent

Enals

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

Alkyl nitrate - Organic nitrate - Enal - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aldehyde - Organic cation - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.

External Descriptors

Not available

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