Compound Identification
SMILES
CCOC1=CC=C(C=C1)N=NC1=CC2=C(OC(=O)C(=C2)C(\C)=N\NC(=O)CC(=O)NC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=XDIFPRCWMHKNKS-YOJSOPRZSA-N
Formula
C28H24ClN5O5
Mass
545.98
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 Anilides Phenoxy compounds Phenol ethers N-arylamides Pyranones and derivatives Alkyl aryl ethers Chlorobenzenes 1,3-dicarbonyl compounds Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azo compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Pyranone - Chlorobenzene - Aryl chloride - Aryl halide - Pyran - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Azo compound - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen 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