Compound Identification
SMILES
C[C@@H]1C(=O)NC2=C1C=C(C=C2)C(=O)COC1=C(Cl)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=IVDNMSKYQLBEGM-NSHDSACASA-N
Formula
C21H16ClNO5
Mass
397.81
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 Indolines Phenol ethers Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Indole or derivatives - Dihydroindole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Ketone - Lactam - Lactone - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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