Compound Identification
SMILES
CCC1=CC(C(=O)C2=CC=C(OC(F)(F)F)C=C2)=C(NC(=O)CNC2(CC2)C(O)=O)S1
InChIKey
InChIKey=QPGZTXFEPKLQSV-UHFFFAOYSA-N
Formula
C20H19F3N2O5S
Mass
456.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes Alpha amino acid amides Alpha amino acids 2,3,5-trisubstituted thiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives 1-aminocyclopropane-1-carboxylic acids and derivatives Cyclopropanecarboxylic acids Vinylogous amides Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Trihalomethanes Carboxylic acids Monocarboxylic acids and derivatives Dialkylamines Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Alpha-amino acid amide - Alpha-amino acid or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Thiophene carboxylic acid or derivatives - Phenol ether - N-arylamide - 2,3,5-trisubstituted thiophene - Benzoyl - Phenoxy compound - 1-aminocyclopropane-1-carboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Secondary carboxylic acid amide - Amino acid - Trihalomethane - Carboxamide group - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Halomethane - Alkyl fluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available