Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC2=CC=CC=C2OC1=O)[N+]([O-])=O

InChIKey

InChIKey=CLWRLNBZSRXNFJ-UHFFFAOYSA-N

Formula

C23H15ClN2O5

Mass

434.83

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