Compound Identification
SMILES
BrC1=CC=C(NCC(=O)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=AIZLIIUFNNUECU-UHFFFAOYSA-N
Formula
C17H12BrNO3
Mass
358.191
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 Phenylalkylamines Aryl alkyl ketones Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Alpha-amino ketones Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Halobenzene - Pyranone - Secondary aliphatic/aromatic amine - Benzenoid - Aryl halide - Aryl bromide - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Alpha-aminoketone - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Secondary amine - Organohalogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen 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