Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=OMOIKTDXIBQQGN-UHFFFAOYSA-N

Formula

C20H21Cl2N3O4

Mass

438.31

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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 - Benzopyran - 1-benzopyran - Anisole - Polyhalopyridine - Phenol ether - Alkyl aryl ether - Aminopyridine - Pyranone - Aryl chloride - Aryl halide - Primary aromatic amine - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Vinylogous amide - Lactone - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Primary amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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