Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C12CC3(OC3C1O2)C#N

InChIKey

InChIKey=NDXCUYIYFHYORP-OWOJBTEDSA-N

Formula

C9H7NO4

Mass

193.158

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,4-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,4-dioxepanes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

1,4-dioxepane - Oxane - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.

External Descriptors

Not available

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