Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCCCCCC(N)=O)C2=C(C=C1)C(NC1=C(Cl)C=NC=C1Cl)=CC(=O)O2

InChIKey

InChIKey=OQUZXXPVNSDVRU-UHFFFAOYSA-N

Formula

C21H21Cl2N3O5

Mass

466.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - 1-benzopyran - Benzopyran - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aminopyridine - Pyranone - Primary aromatic amine - Aryl chloride - Fatty acyl - Benzenoid - Aryl halide - Fatty amide - Pyridine - Pyran - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactone - Primary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Secondary amine - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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