Compound Identification
SMILES
COC1=C(OCCCCCN)C2=C(C=C1)C(NC1=C(Cl)C=NC=C1Cl)=CC(=O)O2
InChIKey
InChIKey=OMOIKTDXIBQQGN-UHFFFAOYSA-N
Formula
C20H21Cl2N3O4
Mass
438.31
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 Polyhalopyridines Anisoles Alkyl aryl ethers Pyranones and derivatives Aminopyridines and derivatives Primary aromatic amines Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactones Azacyclic compounds Secondary amines Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Polyhalopyridine - Phenol ether - Alkyl aryl ether - Aminopyridine - Pyranone - Aryl chloride - Aryl halide - Primary aromatic amine - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Vinylogous amide - Lactone - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Primary amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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