Compound Identification
SMILES
CCC1=CC(=O)OC2=CC(OC(C)C(=O)NCC3=CC=NC=C3)=C(Cl)C=C12
InChIKey
InChIKey=UQYIUZMXOKKKTF-UHFFFAOYSA-N
Formula
C20H19ClN2O4
Mass
386.83
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 Pyranones and derivatives Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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