Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1=CC=CC(CC#N)=C1C(O)=O

InChIKey

InChIKey=PVFCLTCNGWRJJC-UHFFFAOYSA-N

Formula

C11H9NO4

Mass

219.196

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Acylsalicylic acids and derivatives

Direct Parent

Acylsalicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Acylsalicylic acid - Phenol ester - Benzyl-cyanide - Benzoic acid - Phenoxy compound - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid.

External Descriptors

Not available

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