Compound Identification
SMILES
ClC1=CC(Cl)=C2OC(=O)C(=CC2=C1)C1=CN2C=CC=CC2=N1
InChIKey
InChIKey=XQQRJYWKRQERKK-UHFFFAOYSA-N
Formula
C16H8Cl2N2O2
Mass
331.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Imidazo[1,2-a]pyridines Imidazopyridines Pyranones and derivatives Pyridines and derivatives Aryl chlorides Benzenoids N-substituted imidazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Imidazopyridine - Imidazo[1,2-a]pyridine - Pyranone - Benzenoid - Aryl chloride - Pyridine - Pyran - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available