Compound Identification
SMILES
ClC1=CC=C(C=C1)C1=CC=C(O1)C=CC(=O)NC1=CC2=C(OC(=O)C=C2)C=C1
InChIKey
InChIKey=YWBDSBPBWOFXIN-UHFFFAOYSA-N
Formula
C22H14ClNO4
Mass
391.81
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 N-arylamides Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furans Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-arylamide - Halobenzene - Pyranone - Chlorobenzene - Aryl chloride - Aryl halide - Pyran - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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