Structure Information
Structure

Compound Identification

SMILES

[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCO[N+]([O-])=O

InChIKey

InChIKey=WLVYOWMQVFXLOP-UHFFFAOYSA-M

Formula

C21H19BrN2O7

Mass

491.294

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinoline - Benzodioxole - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Alkyl nitrate - Organic nitrate - Organic nitro compound - Organic nitric acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.

External Descriptors

Not available

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