Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)OC2=C1C=CC(OCC#N)=C2)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=NBZQGDSLTLFHNT-UHFFFAOYSA-N

Formula

C18H12ClNO3

Mass

325.75

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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