Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)C1=C(N(CCCBr)C2=O)C2=C(C=C(Cl)C=C2)C1=O
InChIKey
InChIKey=SBUGLDCVZLGRMA-UHFFFAOYSA-N
Formula
C19H12BrClN2O4
Mass
447.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Aryl ketones Nitroaromatic compounds Pyridinones Aryl chlorides Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Alkyl bromides Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Nitroaromatic compound - Aryl ketone - Pyridinone - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Ketone - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Alkyl halide - Organic salt - Organonitrogen compound - Organochloride - Organobromide - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Alkyl bromide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available