Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C2C=C(N=CN2C(C(=O)C2=CC=CC=C2)=C1C(=O)OC)C1=CC=C(Br)C=C1

InChIKey

InChIKey=LRLDKUHXYOKUSP-UHFFFAOYSA-N

Formula

C24H17BrN2O5

Mass

493.313

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Aryl-phenylketone - 4-phenylpyrimidine - Pyrrolopyrimidine - Benzoyl - Pyrrole-3-carboxylic acid or derivatives - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Vinylogous amide - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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