Compound Identification
SMILES
CCCCC1=CC(=O)OC2=C1C=CC1=C2CN(CO1)C1=C(Cl)C=C(Br)C=C1
InChIKey
InChIKey=YJRCSAKBKWGZGR-UHFFFAOYSA-N
Formula
C21H19BrClNO3
Mass
448.74
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 Benzoxazines Aniline and substituted anilines Dialkylarylamines Pyranones and derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organobromides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Benzoxazine - 1-benzopyran - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Pyranone - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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