Compound Identification
SMILES
CC(C)(C)CC(=O)NC1=CC2=C(C=C1)C(Cl)=C(OCCBr)OC2=O
InChIKey
InChIKey=UFAIKMFVPFLJSJ-UHFFFAOYSA-N
Formula
C17H19BrClNO4
Mass
416.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans N-arylamides Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Benzenoids Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl bromides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - N-arylamide - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Fatty amide - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Organochloride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available