Structure Information
Structure

Compound Identification

SMILES

C[C@H](NCC1=CC(=O)OC2=C1C=CC(O)=C2C)C1=C(Cl)C=C(Cl)C=C1

InChIKey

InChIKey=QMSIHMMLWTZRMG-NSHDSACASA-N

Formula

C19H17Cl2NO3

Mass

378.25

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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 - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Pyranone - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Secondary amine - Oxacycle - Secondary aliphatic amine - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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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