Compound Identification
SMILES
ClC1=C\C(=C\NC2=CC3=C(OC(=O)C=C3)C=C2)C(=O)C(Cl)=C1
InChIKey
InChIKey=LBMKTIFVHQQWNY-NTMALXAHSA-N
Formula
C16H9Cl2NO3
Mass
334.15
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 O-quinomethanes Pyranones and derivatives Benzenoids Vinylogous amides Alpha-chloroketones Heteroaromatic compounds Lactones Vinyl chlorides Enamines Chloroalkenes Oxacyclic compounds Secondary amines Allylamines Organochlorides Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - O-quinomethane - Quinomethane - Pyranone - Pyran - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Heteroaromatic compound - Vinylogous amide - Ketone - Lactone - Cyclic ketone - Enamine - Allylamine - Oxacycle - Chloroalkene - Secondary amine - Vinyl chloride - Vinyl halide - Haloalkene - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aldehyde - Organopnictogen 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