Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OCC(=O)N1CCOC(COC3=CC(Cl)=CN=C3)C1)=C2
InChIKey
InChIKey=XQXWOSZPWWBKTE-UHFFFAOYSA-N
Formula
C22H21ClN2O6
Mass
444.87
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 Pyranones and derivatives Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen 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