Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OCC(=O)NNC1=C3C=CC=C(Cl)C3=NC=C1)=C2
InChIKey
InChIKey=WKNUPTRHGDEEAT-UHFFFAOYSA-N
Formula
C21H16ClN3O4
Mass
409.83
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
Chloroquinolines 1-benzopyrans Phenol ethers Pyranones and derivatives Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Lactones Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Haloquinoline - Chloroquinoline - Benzopyran - Quinoline - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyridine - Pyran - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid hydrazide - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen 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