Compound Identification
SMILES
COC1=CC2=C(C=C1)C(=CN(CCO)C2=O)C(O)=O
InChIKey
InChIKey=IWROXRJUQZLWCF-UHFFFAOYSA-N
Formula
C13H13NO5
Mass
263.249
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
Pyridinecarboxylic acids Anisoles Pyridinones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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