Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)COC1=C(C=C(C)C(C)=C1)C(NC1=CC=C(C=C1)C#N)C([O-])=O

InChIKey

InChIKey=RQTIPYQUDFPEPN-UHFFFAOYSA-M

Formula

C21H21N2O5

Mass

381.409

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenoxyacetate - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - O-xylene - Xylene - Phenol ether - Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Cyanide - Organooxygen compound - Amine - Organic oxide - Organonitrogen compound - Organic anion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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