Compound Identification
SMILES
CC1=CC2=C(C=C1)C(=CC(=O)O2)C1=NC2=CC(Br)=CN=C2NC1=O
InChIKey
InChIKey=GDVZYEMDCOUADO-UHFFFAOYSA-N
Formula
C17H10BrN3O3
Mass
384.189
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
Pyridopyrazines 1-benzopyrans Pyranones and derivatives Pyridines and derivatives Pyrazines Aryl bromides Benzenoids Heteroaromatic compounds Lactams Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Pyridopyrazine - 1-benzopyran - Pyranone - Aryl bromide - Aryl halide - Pyran - Pyrazine - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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