Compound Identification
SMILES
Br.CN(C)C1=CC=C(C=C1)C(Br)=C1OC(=O)C2=CC=CC=C12
InChIKey
InChIKey=DXGFDBASGAECGO-UHFFFAOYSA-N
Formula
C17H15Br2NO2
Mass
425.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
- Subclass Isobenzofuranones
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Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Isobenzofuranones
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Enol esters Lactones Amino acids and derivatives Vinyl bromides Oxacyclic compounds Bromoalkenes Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Enol ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Bromoalkene - Vinyl halide - Vinyl bromide - Haloalkene - Oxacycle - Carboxylic acid derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.
External Descriptors
Not available