Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)OC2=C1C=CC(OCC(=O)NNC1=C3C=CC=C(Cl)C3=NC=C1)=C2

InChIKey

InChIKey=WKNUPTRHGDEEAT-UHFFFAOYSA-N

Formula

C21H16ClN3O4

Mass

409.83

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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 - Haloquinoline - Chloroquinoline - Benzopyran - Quinoline - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyridine - Pyran - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid hydrazide - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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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