Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(=O)OC2=CC3=C(C=C2)C(C)=CC(=O)O3)=CC(Br)=C1NC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2

InChIKey

InChIKey=PNUDMHDAURHZPZ-UHFFFAOYSA-N

Formula

C29H21BrN2O8

Mass

605.397

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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

Phenylcarbamic acid ester - Coumarin - Benzopyran - 1-benzopyran - Diaminotoluene - Toluene - Pyranone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Carbamic acid ester - Lactone - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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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