Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(O)=C3)C=CC(=C1)N(CCCl)CCCl

InChIKey

InChIKey=WCRKUBGTWMEDDH-UHFFFAOYSA-N

Formula

C23H23Cl2N3O4

Mass

476.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

7-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Toluene - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - Organic oxide - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.

External Descriptors

Not available

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