Compound Identification
SMILES
ClC1=CC2=C(OC(=O)C3=C2NCCO3)C=C1
InChIKey
InChIKey=BJJIPLSVSQAUCB-UHFFFAOYSA-N
Formula
C11H8ClNO3
Mass
237.64
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 Secondary alkylarylamines Pyranones and derivatives Alkyl aryl ethers Benzenoids Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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