Compound Identification
SMILES
BrC1=CC=C(CC(=O)OCC(=O)C2=CNC3=CC=CC=C23)C=C1
InChIKey
InChIKey=ITZRLMSMTHHOCT-UHFFFAOYSA-N
Formula
C18H14BrNO3
Mass
372.218
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Aryl alkyl ketones Bromobenzenes Alpha-acyloxy ketones Substituted pyrroles Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available