Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C1=CC(=C(Cl)C=C1Cl)[N+]([O-])=O

InChIKey

InChIKey=WTYBOFZATCKTQO-UHFFFAOYSA-N

Formula

C17H9Cl2NO6

Mass

394.16

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavones

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylcoumarin - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Pyran - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.

External Descriptors

Not available

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