Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1OCC)C(=O)OCC(=O)NC1=C(Cl)C=C(C=N1)C(F)(F)F
InChIKey
InChIKey=LHOPVOPKPOWWJW-UHFFFAOYSA-N
Formula
C21H22ClF3N2O6
Mass
490.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
- Level 6 Gallic acid and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
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
Hydroxybenzoic acid derivatives
Direct Parent
Gallic acid and derivatives
Alternative Parents
Benzoic acid esters Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gallic acid or derivatives - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Aryl chloride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors
Not available