Compound Identification
SMILES
ClC1=C(Cl)C=C(C=NC2=CC3=C(C=C2)C2=CC=CC=C2C(=O)O3)C=C1
InChIKey
InChIKey=QTARKXFXKNQTHT-UHFFFAOYSA-N
Formula
C20H11Cl2NO2
Mass
368.21
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
Isocoumarins and derivatives 2-benzopyrans 1-benzopyrans Dichlorobenzenes Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Shiff bases Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Coumarin - Benzopyran - 2-benzopyran - 1-benzopyran - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Shiff base - Aldimine - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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