Compound Identification
SMILES
CCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C1=CN(CC(O)=O)C=C1C#N
InChIKey
InChIKey=KFOAQYZXQGKDJQ-UHFFFAOYSA-N
Formula
C16H13F3N2O4S
Mass
386.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids and derivatives Benzenesulfonyl compounds Sulfones Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrole - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available