Compound Identification
SMILES
COC(=O)C(C(C)=O)=C1N=C(NC(=O)C2=CC(C)=C(C=C2)[N+]([O-])=O)C2=CC=CC=C12
InChIKey
InChIKey=UWIRJDHFTCQFHW-UHFFFAOYSA-N
Formula
C21H17N3O6
Mass
407.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Beta-keto acids and derivatives Fatty acid esters Acryloyl compounds Enoate esters Enones Methyl esters Ketones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Organic oxoazanium compounds Azacyclic compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - M-toluamide - Toluamide - Isoindole - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Beta-keto acid - Fatty acid ester - Toluene - Monocyclic benzene moiety - Keto acid - Fatty acyl - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Enone - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid amidine - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Amidine - Azacycle - Carboxylic acid derivative - Carboximidamide - Organic 1,3-dipolar compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - 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