Compound Identification
SMILES
CC(C)(C)C1CC2=C(C=CC(NC3=C(C=CC(Br)=N3)[N+]([O-])=O)=C2)N1C([O-])=O
InChIKey
InChIKey=YQUXZLRWXBKCCS-UHFFFAOYSA-M
Formula
C18H18BrN4O4
Mass
434.271
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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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
Nitroaromatic compounds 2-halopyridines Aminopyridines and derivatives Aryl bromides Benzenoids Imidolactams Heteroaromatic compounds Carbamic acids Organic oxoazanium compounds Azacyclic compounds Organic oxides Amines Organobromides Organic salts Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Nitroaromatic compound - Aminopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Carbamic acid - Organic nitro compound - Carbamic acid derivative - C-nitro compound - Azacycle - Organic oxoazanium - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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