Compound Identification
SMILES
CC(=O)NC1=C(Br)C2=C(C=C1)C1=CC=CC=C1C(=O)O2
InChIKey
InChIKey=NLZUKBGAVXAOCA-UHFFFAOYSA-N
Formula
C15H10BrNO3
Mass
332.153
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
Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans N-acetylarylamines Pyranones and derivatives Aryl bromides Benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Lactones Oxacyclic compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - N-acetylarylamine - N-arylamide - Pyranone - Aryl bromide - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - 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