Compound Identification
SMILES
COC(=O)C1=CC(Br)=CC(Br)=C1OC(=NC1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=HVBIQZQYEHOKAK-UHFFFAOYSA-N
Formula
C21H14Br3NO3
Mass
568.059
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives Phenoxy compounds Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Organic 1,3-dipolar compound - Carboximidic acid derivative - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available