Compound Identification
SMILES
COC(=O)C1=C(C)N(CC1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=TYMBAKBLPVONSB-UHFFFAOYSA-N
Formula
C13H12FNO3
Mass
249.241
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Tertiary alkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Vinylogous amides Pyrroles Methyl esters Enoate esters Amino acids and derivatives Cyclic ketones Monocarboxylic acids and derivatives Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Tertiary amine - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available