Compound Identification
SMILES
BrC1=CC2=C(OC(=O)C(=C2)C(=O)N2CCOCC2)C=C1
InChIKey
InChIKey=CVLFPEPZXXJMQW-UHFFFAOYSA-N
Formula
C14H12BrNO4
Mass
338.157
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 Morpholine carboxylic acids and derivatives Pyranones and derivatives Aryl bromides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Morpholine-4-carboxylic acid or derivatives - Pyranone - Aryl bromide - Aryl halide - Morpholine - Benzenoid - Pyran - Oxazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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