Compound Identification
SMILES
CC1=C(C)C2=CC(Cl)=C3OCN(CC3=C2OC1=O)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=NNLJNGXZGOBRIU-UHFFFAOYSA-N
Formula
C21H18ClNO5
Mass
399.83
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 Benzo-1,4-dioxanes Benzoxazines Dialkylarylamines Pyranones and derivatives Alkyl aryl ethers Para dioxins Aryl chlorides Benzenoids Heteroaromatic compounds Lactones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - Benzoxazine - 1-benzopyran - Dialkylarylamine - Alkyl aryl ether - Pyranone - Aryl chloride - Benzenoid - Aryl halide - Pyran - Para-dioxin - Heteroaromatic compound - Lactone - Azacycle - Ether - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen 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