Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(Cl)=C(NC(=O)C2=CC=C(C=C2)C2=CC3=CC=CC=C3OC2=O)C=C1

InChIKey

InChIKey=MDVCMNSDVIPJJX-UHFFFAOYSA-N

Formula

C22H13ClN2O5

Mass

420.81

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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 - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Pyranone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - 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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