Compound Identification
SMILES
CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)NC3=C2C=C(Br)C=C3)C(C(=O)OC)=C(N)O1
InChIKey
InChIKey=GJXAUQXONWGLIU-UHFFFAOYSA-N
Formula
C21H21BrN2O8
Mass
509.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Indolines
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolines
Intermediate Tree Nodes
Not available
Direct Parent
Indolines
Alternative Parents
Tricarboxylic acids and derivatives Pyrans Aryl bromides Benzenoids Vinylogous esters Vinylogous amides Enoate esters Methyl esters Secondary carboxylic acid amides Ketene acetals Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroindole - Tricarboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyran - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
External Descriptors
Not available