Compound Identification
SMILES
C\C(=N\NC1=CC(C)=C(C)C=C1)C1=CC2=C(OC1=O)C=CC(Br)=C2
InChIKey
InChIKey=IRFOIHZVCUVKOV-BKUYFWCQSA-N
Formula
C19H17BrN2O2
Mass
385.261
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 o-Xylenes Phenylhydrazines Pyranones and derivatives Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Hydrazones Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - O-xylene - Xylene - Phenylhydrazine - Pyranone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Hydrazone - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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