Compound Identification
SMILES
COC(=O)C1=NN(N=O)C2C1C(=O)N(C2=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=XKHMORBPEMNJAJ-UHFFFAOYSA-N
Formula
C13H9FN4O5
Mass
320.236
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Alpha amino acids and derivatives Pyrrolopyrazoles Fluorobenzenes Pyrrolidine-2-ones Aryl fluorides N-substituted carboxylic acid imides Pyrroles Pyrazolines Dicarboximides Methyl esters Organic N-nitroso compounds N-alkylated hydrazones Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - Pyrrolopyrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Pyrrolidone - 2-pyrrolidone - Methyl ester - Pyrrole - Pyrazoline - Dicarboximide - Carboxylic acid imide - Organic n-nitroso compound - Carboxylic acid ester - N-alkylated hydrazone - Lactam - Monocarboxylic acid or derivatives - Organic nitroso compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available