Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)NC(C)=C2C1C1=CC(Br)=CC(Br)=C1OC2=O

InChIKey

InChIKey=FWEOGHFKEYEQIT-UHFFFAOYSA-N

Formula

C17H15Br2NO4

Mass

457.118

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

3,4-dihydrocoumarins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

3,4-dihydrocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Dihydropyridine - Dicarboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Secondary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.

External Descriptors

Not available

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