Compound Identification
SMILES
[O-]C(=O)CN1C=C([C@H](N2CCOCC2)C([O-])=O)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=AMPBSQAXZHAGQX-HNNXBMFYSA-L
Formula
C16H15BrN2O5
Mass
395.21
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
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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 N-alkylindoles L-alpha-amino acids Aralkylamines Substituted pyrroles Aryl bromides Benzenoids Dicarboxylic acids and derivatives Morpholines Heteroaromatic compounds Trialkylamines Carboxylic acid salts Amino acids Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - L-alpha-amino acid - Indole - Aralkylamine - Morpholine - Oxazinane - Substituted pyrrole - Aryl bromide - Dicarboxylic acid or derivatives - Benzenoid - Aryl halide - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic anion - 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