Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(NC(=O)[C@@](C)(O)CBr)=C2
InChIKey
InChIKey=VKUMMPARISKUCS-AWEZNQCLSA-N
Formula
C14H14BrNO4
Mass
340.173
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 N-arylamides Pyranones and derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Lactones Bromohydrins Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Bromohydrin - Carboxamide group - Halohydrin - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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