Structure Information
Structure

Compound Identification

SMILES

[Cl-].BrC1=CC=CC(OC(=O)C2=CC3=C(OC2=O)C=CC(C[N+]24CN5CN(CN(C5)C2)C4)=C3)=C1

InChIKey

InChIKey=SESANTVQZIDTQW-UHFFFAOYSA-M

Formula

C23H22BrClN4O4

Mass

533.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Phenol ester - Benzopyran - 1-benzopyran - Phenoxy compound - Pyranone - Bromobenzene - Halobenzene - 1,3,5-triazinane - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Triazinane - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Aminal - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic chloride salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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