Compound Identification
SMILES
CN(CC1=CC=CC=C1Br)C1=CC(=O)OC2=CC=CC=C12
InChIKey
InChIKey=PGZMFLXNHOVYIB-UHFFFAOYSA-N
Formula
C17H14BrNO2
Mass
344.208
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 Phenylmethylamines Benzylamines Dialkylarylamines Pyranones and derivatives Aralkylamines Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Organobromides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Bromobenzene - Halobenzene - Pyranone - Aralkylamine - Pyran - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - 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