Compound Identification
SMILES
CC1CCCC(C)N1C(=O)COC(=O)C1=C(Cl)C=CC(Br)=C1
InChIKey
InChIKey=BQYPIJZAVKQBTF-UHFFFAOYSA-N
Formula
C16H19BrClNO3
Mass
388.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives N-acylpiperidines Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Chlorobenzene - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Piperidine - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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