Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(=O)C[C@](O)(CCC1=CC=C(C=C1)C#N)C(C)C

InChIKey

InChIKey=IRBUWJJZAUOFOI-GOSISDBHSA-N

Formula

C18H23NO4

Mass

317.385

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzonitrile - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Beta-hydroxy ketone - Fatty acyl - 1,3-dicarbonyl compound - Keto acid - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Cyanide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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