Compound Identification
SMILES
Cl.CC1=C(Cl)C=C(NCCNCC2=CC3=C(OC(=O)C=C3)C=C2)C=C1
InChIKey
InChIKey=PPWPXKXMSAKBOM-UHFFFAOYSA-N
Formula
C19H20Cl2N2O2
Mass
379.28
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 Phenylalkylamines Aminotoluenes Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Chlorobenzene - Halobenzene - Pyranone - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Aryl chloride - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - 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