Compound Identification
SMILES
CC1=C(C)N=C(S1)N1C(C(=C(O)C2=CC=C(F)C=C2)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=FTNNVKZJSHIYEN-UHFFFAOYSA-N
Formula
C22H16FN3O5S
Mass
453.44
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
Nitrobenzenes Nitroaromatic compounds 2,4,5-trisubstituted thiazoles Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl fluorides Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Cyclic ketones Enols Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Cyclic ketone - Carboxamide group - Organic nitro compound - C-nitro compound - Lactam - Ketone - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enol - Organic oxoazanium - Azacycle - Organic salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic 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