Compound Identification
SMILES
COC(=O)C(C(C)=O)=C1N=C(NC(=O)C2=CC(C)=CC=C2)C2=CC=CC=C12
InChIKey
InChIKey=BDXINDPRNQFQEH-UHFFFAOYSA-N
Formula
C21H18N2O4
Mass
362.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
- Subclass Isoindoles
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Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Isoindoles
Alternative Parents
m-Toluamides Benzoic acids and derivatives Benzoyl derivatives Beta-keto acids and derivatives Fatty acid esters Acryloyl compounds Enoate esters Enones Methyl esters Ketones Azacyclic compounds Carboximidamides Carboxamidines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindole - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Toluene - Fatty acid ester - Beta-keto acid - Benzenoid - Keto acid - Fatty acyl - Monocyclic benzene moiety - Enone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Acryloyl-group - Carboxylic acid ester - Ketone - Amidine - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors
Not available