Structure Information
Structure

Compound Identification

SMILES

CCCC1(C=CC=CC1OC(C)CCOC1=C(Cl)C=C(CC(O)=O)C=C1)C1=NOC2=CC=CC=C12

InChIKey

InChIKey=ZBQPQAKUKCAVCN-UHFFFAOYSA-N

Formula

C28H30ClNO5

Mass

496.0

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - 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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