Structure Information
Structure

Compound Identification

SMILES

CC1=[N+]([O-])OC2=C1C=C(Cl)C=C2

InChIKey

InChIKey=PTWRGAMHJZDLHQ-UHFFFAOYSA-N

Formula

C8H6ClNO2

Mass

183.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzisoxazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Azacycle - Oxacycle - Organic salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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