Compound Identification
SMILES
COC(=O)[C@@H](C#N)[C@@]1(C)C(=O)N(C(=O)OC)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=BNBJXDWMJLMULT-BMIGLBTASA-N
Formula
C15H13BrN2O5
Mass
381.182
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
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
Alternative Parents
Fatty acid esters Benzenoids Aryl bromides Methyl esters Dicarboximides Carbamate esters Organic carbonic acids and derivatives Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Fatty acid ester - Aryl bromide - Aryl halide - Benzenoid - Fatty acyl - Dicarboximide - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available