Compound Identification
SMILES
OCC1=C(Cl)C=C(NCCNCC2=CC3=C(C=CC(=O)O3)C=C2)C=C1
InChIKey
InChIKey=UGRCRJGTQWAXDO-UHFFFAOYSA-N
Formula
C19H19ClN2O3
Mass
358.82
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 Aniline and substituted anilines Benzyl alcohols Secondary alkylarylamines Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Dialkylamines Organic oxides Organochlorides Aromatic alcohols Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Aniline or substituted anilines - Phenylalkylamine - Benzyl alcohol - Pyranone - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Primary alcohol - Organic nitrogen compound - Aromatic alcohol - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen 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