Compound Identification
SMILES
OCCNC1=C(NCCO)C2=C(OC1=O)C=CC(Cl)=C2
InChIKey
InChIKey=SFYLLWKYPQNBBN-UHFFFAOYSA-N
Formula
C13H15ClN2O4
Mass
298.72
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 Secondary alkylarylamines Pyranones and derivatives Benzenoids Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactones 1,2-aminoalcohols Oxacyclic compounds Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactone - Organoheterocyclic compound - Oxacycle - Secondary amine - Alkanolamine - Alcohol - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Primary alcohol - 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