Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC2C(C(=O)C3=C(N=CC=C3)C2=O)C(=N1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=YFNUDWQHKLFPDN-UHFFFAOYSA-N

Formula

C21H15BrN2O4

Mass

439.265

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinoline quinones

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinoline quinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinoline quinone - Alpha-amino acid or derivatives - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketimine - Ketone - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Imine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.

External Descriptors

Not available

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