Compound Identification
SMILES
COC(=O)C(O)(C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=NNZXRJBZVRDQBQ-UHFFFAOYSA-N
Formula
C16H16F3NO3
Mass
327.303
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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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
Benzene and substituted derivatives Tertiary alcohols Methyl esters Heteroaromatic compounds Fluorohydrins Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Aromatic alcohol - 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