Compound Identification
SMILES
CCOC(=O)C(\C#N)=C1/NC(=O)C2=C1C=CC(Br)=C2
InChIKey
InChIKey=YXAIMIBWUMTLTG-KHPPLWFESA-N
Formula
C13H9BrN2O3
Mass
321.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
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Subclass
Isoindolines
- Level 5 Isoindolones
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Subclass
Isoindolines
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Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
Isoindoles Benzenoids Aryl bromides Vinylogous amides Enoate esters Secondary carboxylic acid amides Lactams Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Isoindole - Aryl bromide - Aryl halide - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors
Not available