Structure Information
Structure

Compound Identification

SMILES

O[NH+]([O-])C1=CC2=C(OC1C1=CC=C(C=C1)C#N)C=CC(Cl)=C2

InChIKey

InChIKey=AMFISWKOVBTJRK-UHFFFAOYSA-N

Formula

C16H11ClN2O3

Mass

314.73

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Flav-3-enes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flav-3-ene - Benzopyran - 1-benzopyran - Benzonitrile - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Carbonitrile - Nitrile - N-organohydroxylamine - Organoheterocyclic compound - Organochloride - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.

External Descriptors

Not available

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