Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)N1COC2=C(Cl)C=C3C(C)=C(C)C(=O)OC3=C2C1
InChIKey
InChIKey=NZWKZGBKTJTIQR-UHFFFAOYSA-N
Formula
C21H20ClNO5
Mass
401.84
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 Dimethoxybenzenes Benzoxazines Methoxyanilines Phenoxy compounds Anisoles Dialkylarylamines Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Benzoxazine - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Pyranone - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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