Compound Identification
SMILES
ClC1=C(C=O)C(=O)OC2=C1C=CC(=C2)N1CCOCC1
InChIKey
InChIKey=BTOHAMZIDAAIHN-UHFFFAOYSA-N
Formula
C14H12ClNO4
Mass
293.7
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 Dialkylarylamines Pyranones and derivatives Aryl-aldehydes Aryl chlorides Morpholines Benzenoids Vinylogous halides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Aryl-aldehyde - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyran - Benzenoid - Vinylogous halide - Heteroaromatic compound - Tertiary amine - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - 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