Compound Identification
SMILES
CCOC1=C(NCCO)C2=C(OC1=O)C=CC(Cl)=C2
InChIKey
InChIKey=GVERZZCYSVSJRK-UHFFFAOYSA-N
Formula
C13H14ClNO4
Mass
283.71
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 Alkyl aryl ethers Aryl chlorides Benzenoids Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactone - Alkanolamine - Oxacycle - Ether - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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