Compound Identification
SMILES
CCOC(=O)C(C)(O)C1=CN(C2=C1C=C(Br)C=C2)C1=C(C)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YHHRUSVNGIXBHH-UHFFFAOYSA-N
Formula
C20H19BrN2O5
Mass
447.285
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenylpyrroles 3-alkylindoles Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Aryl bromides Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organobromides Carbonyl compounds Organonitrogen compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - 1-phenylpyrrole - 3-alkylindole - Nitrotoluene - Indole - Nitrobenzene - Nitroaromatic compound - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Pyrrole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic zwitterion - Aromatic alcohol - 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