Structure Information
Structure

Compound Identification

SMILES

COC1=C(O[C@H](C)C([O-])=O)C=CC(\C=C(\C#N)C2=NC3=CC=CC=C3N2)=C1

InChIKey

InChIKey=MTKWGDDERGJTLU-OJLMPMFISA-M

Formula

C20H16N3O4

Mass

362.366

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

2-phenoxypropionic acids

Intermediate Tree Nodes

Not available

Direct Parent

2-phenoxypropionic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenoxypropionic acid - Phenoxyacetate - Benzimidazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.

External Descriptors

Not available

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