Structure Information
Structure

Compound Identification

SMILES

CCCCOC1=CC=CC(OCC(=O)OC2CN(CCl)C[N+]2([O-])C2=NN=C(CC=C)S2)=C1

InChIKey

InChIKey=ZPYQEIQEBMERLR-UHFFFAOYSA-N

Formula

C21H27ClN4O5S

Mass

482.98

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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 heteromonocyclic compounds

Substituents

Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azole - Imidazolidine - Heteroaromatic compound - Thiadiazole - Carboxylic acid ester - N-oxide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Trisubstituted n-oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Organopnictogen compound - Alkyl chloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic 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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