Compound Identification
SMILES
ClCC1=CC2=C(OC(=O)C(=C2)C(=O)NC2=CC3=CC=CC=C3C=C2)C=C1
InChIKey
InChIKey=LHCCVBZNXRRLDN-UHFFFAOYSA-N
Formula
C21H14ClNO3
Mass
363.8
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
Naphthalenes 1-benzopyrans Pyranones and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Naphthalene - 1-benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Alkyl chloride - 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