Compound Identification
SMILES
COC1=C(OCCOCCN(C)C)C2=C(C=C1)C(NC1=C(Cl)C=NC=C1Cl)=CC(=O)O2
InChIKey
InChIKey=MXFKLCLMTLAANU-UHFFFAOYSA-N
Formula
C21H23Cl2N3O5
Mass
468.33
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 Anisoles Polyhalopyridines Alkyl aryl ethers Aminopyridines and derivatives Pyranones and derivatives Primary aromatic amines Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactones Trialkylamines Dialkyl ethers Azacyclic compounds Secondary amines Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aminopyridine - Pyranone - Aryl chloride - Aryl halide - Primary aromatic amine - Benzenoid - Pyran - Pyridine - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Secondary amine - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - 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