Compound Identification
SMILES
COC1=C2OC(=O)C(=CC2=CC(Br)=C1)N=CC1=CC=CC=C1[N]
InChIKey
InChIKey=CYEPDPLMSYFLSK-UHFFFAOYSA-N
Formula
C17H11BrN2O3
Mass
371.19
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Shiff bases Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic nitrenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Shiff base - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Aldimine - Organic nitrene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organooxygen compound - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - 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