Compound Identification
SMILES
OC1=C(N=NC(=O)COC2=CC3=C(C=CC(=O)O3)C=C2)C2=C(N1)C=CC(Cl)=C2
InChIKey
InChIKey=ACMCRIULRRGINM-UHFFFAOYSA-N
Formula
C19H12ClN3O5
Mass
397.77
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
Hydroxyindoles 1-benzopyrans Indoles Pyranones and derivatives Alkyl aryl ethers Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Lactones Azo compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Hydroxyindole - 1-benzopyran - Benzopyran - Indole or derivatives - Indole - Pyranone - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Pyran - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Lactone - Azo compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - 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