Compound Identification
SMILES
CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=AATFTGRGTLZCKD-UHFFFAOYSA-N
Formula
C16H14BrNO4S
Mass
396.26
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 Benzoyl derivatives Aryl alkyl ketones Bromobenzenes 2,5-disubstituted thiophenes Aryl bromides Vinylogous halides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Carboxylic acid esters Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aryl ketone - Bromobenzene - 2,5-disubstituted thiophene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Acetamide - Vinylogous halide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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