Compound Identification
SMILES
CC1=CC2=C(C(=O)O1)C1(C(=O)NC3=C1C(Br)=C(C)C=C3)C(C#N)=C(N)O2
InChIKey
InChIKey=JPYJNDSGAPNJFO-UHFFFAOYSA-N
Formula
C18H12BrN3O4
Mass
414.215
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Pyranones and derivatives Aryl bromides Benzenoids Vinylogous esters Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Lactams Lactones Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroindole - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Carboxamide group - Ketene acetal or derivatives - Lactam - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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