Compound Identification
SMILES
OC(=O)C(CC(=O)C1=CC=C(Br)C=C1)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=UKZWMJMQQLWAET-UHFFFAOYSA-N
Formula
C18H14BrNO3
Mass
372.218
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic acids and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indole-3-acetic acid derivatives
Alternative Parents
Alkyl-phenylketones Butyrophenones 3-alkylindoles Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Bromobenzenes Substituted pyrroles Aryl bromides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Alkyl-phenylketone - Butyrophenone - 3-alkylindole - Indole - Phenylketone - Gamma-keto acid - Benzoyl - Aryl ketone - Aryl alkyl ketone - Halobenzene - Bromobenzene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Keto acid - Aryl bromide - Aryl halide - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
Not available