Compound Identification
SMILES
CCOC(=O)C(C#N)C1(C#N)N(CC2=CC=C(Br)C=C2)C(=O)C2=CC=CC=C12
InChIKey
InChIKey=SWTUHQWQQRGUHR-UHFFFAOYSA-N
Formula
C21H16BrN3O3
Mass
438.281
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 Fatty acid esters Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Lactams Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Isoindole - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organobromide - Organohalogen compound - Organic oxygen compound - Cyanide - Organic oxide - 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