Compound Identification
SMILES
CC1=C(Cl)C=C(NCCNCC2=CC3=C(OC(=O)C=C3)C=C2)C=C1
InChIKey
InChIKey=RJFVQEDEGSJQPJ-UHFFFAOYSA-N
Formula
C19H19ClN2O2
Mass
342.82
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 Phenylalkylamines Aminotoluenes Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Dialkylamines Oxacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Secondary aliphatic amine - Oxacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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