Compound Identification
SMILES
OC1=C(C=CC2=C1C=C(CN1CCOCC1)C(=O)O2)C(=O)NCC1=CC=C(Cl)C=C1
InChIKey
InChIKey=DLCACEHZFRTZSO-UHFFFAOYSA-N
Formula
C22H21ClN2O5
Mass
428.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
- Subclass Hydroxycoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycoumarins
Alternative Parents
1-benzopyrans Salicylic acid and derivatives 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Aralkylamines Chlorobenzenes Aryl chlorides Morpholines Vinylogous acids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactones Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxycoumarin - Salicylic acid or derivatives - 1-benzopyran - Benzopyran - Pyranone - Chlorobenzene - Halobenzene - Aralkylamine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aryl chloride - Morpholine - Oxazinane - Benzenoid - Pyran - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Vinylogous acid - Tertiary aliphatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organooxygen compound - Amine - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
External Descriptors
Not available