Compound Identification
SMILES
ClCC1=CC2=C(OC(=O)C(=C2)C(=O)OC2=CC=CC3=C2N=CC=C3)C=C1
InChIKey
InChIKey=YOIIHKSEJOPKPY-UHFFFAOYSA-N
Formula
C20H12ClNO4
Mass
365.77
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
Quinolines and derivatives 1-benzopyrans Pyranones and derivatives Pyridines and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Alkyl chlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Quinoline - 1-benzopyran - Pyranone - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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