Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C2=CC=C(Cl)C=C2)C2=C(O1)C=CC1=C2OC(=O)C=C1

InChIKey

InChIKey=CXLATDWSPLCOAR-UHFFFAOYSA-N

Formula

C19H11ClN2O3

Mass

350.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Pyranoneoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Pyranoneoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyranoneoflavonoid - Angular pyranocoumarin - Pyranocoumarin - Coumarin - Benzopyran - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ketene acetal or derivatives - Lactone - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyranoneoflavonoids. These are compounds containing a pyran ring fused to either ring A, B, or C of the neoflavonoid skeleton. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.

External Descriptors

Not available

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