Structure Information
Structure

Compound Identification

SMILES

ClC1=C(OCCCBr)OC(=O)C2=C1C=CC(NC(=O)CCC1=CC=CC=C1)=C2

InChIKey

InChIKey=ICTLEUPPDAZHAI-UHFFFAOYSA-N

Formula

C21H19BrClNO4

Mass

464.74

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isocoumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumarin - 2-benzopyran - Benzopyran - N-arylamide - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.

External Descriptors

Not available

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