Compound Identification
SMILES
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCO[N+]([O-])=O
InChIKey
InChIKey=WLVYOWMQVFXLOP-UHFFFAOYSA-M
Formula
C21H19BrN2O7
Mass
491.294
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
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
Benzodioxoles Anisoles Methylpyridines Alkyl aryl ethers Heteroaromatic compounds Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives
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