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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=NC2=C1C(=NO2)C1=CC=C(Cl)C=C1)C1=CC2=CC=CC=C2O1

InChIKey

InChIKey=DOAJTJMDSLNTKU-UHFFFAOYSA-N

Formula

C22H13ClN2O4

Mass

404.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoxazolopyridines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isoxazolopyridines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzofuran - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - 1,2-oxazolopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Methyl ester - Furan - Isoxazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoxazolopyridines. These are aromatic compounds containing an isoxazole ring fused to a pyridine ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.

External Descriptors

Not available

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