Compound Identification
SMILES
CC1=CC(F)=C(NC(=O)COC(=O)C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=BXNAJAPXTQJGKF-UHFFFAOYSA-N
Formula
C16H13BrFNO3
Mass
366.186
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 Anilides Benzoyl derivatives N-arylamides Toluenes Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Carboxylic acid esters Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Anilide - N-arylamide - Benzoyl - Fluorobenzene - Toluene - Bromobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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