Compound Identification
SMILES
COC1=C(OCCCCCC(N)=O)C2=C(C=C1)C(NC1=C(Cl)C=NC=C1Cl)=CC(=O)O2
InChIKey
InChIKey=OQUZXXPVNSDVRU-UHFFFAOYSA-N
Formula
C21H21Cl2N3O5
Mass
466.32
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 Anisoles Polyhalopyridines Alkyl aryl ethers Pyranones and derivatives Aminopyridines and derivatives Primary aromatic amines Aryl chlorides Fatty amides Heteroaromatic compounds Vinylogous amides Lactones Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Secondary amines Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aminopyridine - Pyranone - Primary aromatic amine - Aryl chloride - Fatty acyl - Benzenoid - Aryl halide - Fatty amide - Pyridine - Pyran - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactone - Primary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Secondary amine - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organic nitrogen compound - 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