Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(C)OC1=C(C=C(C=NN2C(=O)C3C4CC(C=C4)C3C2=O)C=C1Cl)[N+]([O-])=O

InChIKey

InChIKey=MKTRROBCNAFXBP-UHFFFAOYSA-N

Formula

C21H20ClN3O7

Mass

461.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

2-phenoxypropionic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

2-phenoxypropionic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenoxypropionic acid ester - Nitrophenyl ether - Phenoxyacetate - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindoline - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Dicarboximide - C-nitro compound - Carboxylic acid ester - Lactam - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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