Compound Identification
SMILES
COC1=C(OCC2CC2)C2=C(C=C1)C(NC1=CC=CC=C1Cl)=CC(=O)O2
InChIKey
InChIKey=XCCGPUZYXTVKBT-UHFFFAOYSA-N
Formula
C20H18ClNO4
Mass
371.82
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 Aniline and substituted anilines Anisoles Alkyl aryl ethers Pyranones and derivatives Chlorobenzenes Primary aromatic amines Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactones Secondary amines Oxacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Primary aromatic amine - Heteroaromatic compound - Vinylogous amide - Lactone - Secondary amine - Ether - Organoheterocyclic compound - Oxacycle - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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