Compound Identification
SMILES
CCC(=O)OCC1=CC2=C(OC(=O)C(=C2)C(=O)OC2=CC(Cl)=CN=C2)C=C1
InChIKey
InChIKey=SMIXYAWTUGVYBN-UHFFFAOYSA-N
Formula
C19H14ClNO6
Mass
387.77
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 Pyridines and derivatives Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyran - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Lactone - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organopnictogen 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