Compound Identification
SMILES
OC(=O)CC1=C(NC2=C1C=C(Br)C=C2)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=ZHPMHKQPCGJSRQ-UHFFFAOYSA-N
Formula
C17H12BrNO4
Mass
374.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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
3-alkylindoles Benzodioxoles Substituted pyrroles Aryl bromides Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - 3-alkylindole - Benzodioxole - Indole - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - 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