Compound Identification
SMILES
CCOC(=O)C(C#N)C1(C#N)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2
InChIKey
InChIKey=MDMBPJZPPZBDEY-UHFFFAOYSA-N
Formula
C21H14BrClFN3O3
Mass
490.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Bromobenzenes Fatty acid esters Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Carboxylic acid esters Lactams Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Isoindole - Halobenzene - Fluorobenzene - Fatty acid ester - Bromobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - 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