Structure Information
Structure

Compound Identification

SMILES

[Na+].CCC1=C(C(=O)C(N)=O)C2=C(C=CC=C2OCC([O-])=O)N1CC1=CC=CC=C1

InChIKey

InChIKey=XZZUHXILQXLTGV-UHFFFAOYSA-M

Formula

C21H19N2NaO5

Mass

402.382

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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 heteropolycyclic compounds

Substituents

Phenoxyacetate - N-alkylindole - Indole - Indole or derivatives - Phenol ether - Aryl ketone - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Carboxamide group - Carboxylic acid salt - Ketone - Primary carboxylic acid amide - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic sodium salt - Organic cation - Aromatic heteropolycyclic 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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