Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(NC(=O)C1=C(Cl)N=CC=C1)C(=O)O2
InChIKey
InChIKey=DLCRWYXACWJTAD-UHFFFAOYSA-N
Formula
C19H18ClN3O3
Mass
371.82
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 Nicotinamides Dialkylarylamines Pyranones and derivatives 2-halopyridines Aryl chlorides Benzenoids Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 2-halopyridine - Pyranone - Aryl halide - Pyran - Aryl chloride - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Lactone - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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