Compound Identification
SMILES
COC(=O)C1=C(C#N)C2=CC=CC=C2C(=O)O1
InChIKey
InChIKey=ZKLHCIHCOZWJTR-UHFFFAOYSA-N
Formula
C12H7NO4
Mass
229.191
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Pyranones and derivatives Benzenoids Methyl esters Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Lactone - Nitrile - Carbonitrile - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available