Compound Identification
SMILES
OC1=CC=CC=C1C(=O)OC(C(=O)NC1=C(Cl)C=CC(=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
InChIKey=SYPOBDLKJSAJCP-UHFFFAOYSA-N
Formula
C22H15ClF3NO4
Mass
449.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
-
Level 5
Benzoic acid esters
-
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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Trifluoromethylbenzenes Benzyloxycarbonyls Salicylic acid and derivatives Phenylacetamides Anilides Benzoyl derivatives N-arylamides 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Carboxylic acid esters Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Trifluoromethylbenzene - Benzyloxycarbonyl - Phenylacetamide - Salicylic acid or derivatives - Anilide - Benzoyl - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available