Compound Identification
SMILES
COC(=O)C1=C(Br)C(NC2=CC(=O)CC(C2)C2=CC=C(C=C2)C(F)(F)F)=CC=C1
InChIKey
InChIKey=LHOAGMPBVLOYLJ-UHFFFAOYSA-N
Formula
C21H17BrF3NO3
Mass
468.27
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
Trifluoromethylbenzenes 2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives 2-bromoanilines Benzoyl derivatives Cyclohexenones Bromobenzenes Aryl bromides Vinylogous halides Vinylogous amides Methyl esters Enamines Hydrocarbon derivatives Organic oxides Alkyl fluorides Organobromides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 2-bromoaniline - Aniline or substituted anilines - Cyclohexenone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Vinylogous amide - Methyl ester - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Enamine - Amine - Organofluoride - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Organobromide - Organohalogen 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