Compound Identification
SMILES
COC1=C(CN(CCCl)CCCl)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=FCMYEHAODNOLAV-UHFFFAOYSA-N
Formula
C16H19Cl2NO3
Mass
344.23
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 Nitrogen mustard compounds Anisoles Pyranones and derivatives Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Nitrogen mustard - Alkyl aryl ether - Pyranone - Aralkylamine - Benzenoid - Pyran - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - 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