Compound Identification
SMILES
CC1=CC=CC=C1CCNC(=O)COC1=C(Cl)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=WCRRZHXQVRKRAV-UHFFFAOYSA-N
Formula
C21H20ClNO4
Mass
385.84
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 Phenol ethers Toluenes Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Toluene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen 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