Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(NC(=O)C(Cl)(Cl)Cl)=C1C\C=C(/C)CC(CCN1CCNC1)C(O)=O

InChIKey

InChIKey=BZTGEYYOISXGNT-YIXHJXPBSA-N

Formula

C24H30Cl3N3O6

Mass

562.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Methoxyaniline - Anisole - Phenol ether - Medium-chain fatty acid - N-arylamide - Alkyl aryl ether - Branched fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Imidazolidine - Vinylogous amide - Secondary carboxylic acid amide - Lactone - Carboxamide group - Carboxylic acid ester - Aminal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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