Compound Identification
SMILES
O[C@@H]1C[C@H]2CN(C(=O)C3=CC=CC=C3)C3=C2C([C@H]1Br)=C(C=C3)C#N
InChIKey
InChIKey=XQLCSLLVMUOLAP-JOQOYGCGSA-N
Formula
C19H15BrN2O2
Mass
383.245
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
Tetralins Isoindoles and derivatives Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Secondary alcohols Bromohydrins Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Tetralin - Benzamide - Benzoic acid or derivatives - Isoindole or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Secondary alcohol - Bromohydrin - Carboxamide group - Halohydrin - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Hydrocarbon derivative - Cyanide - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available