Structure Information
Structure

Compound Identification

SMILES

CC1=C(F)C=C(C=C1)C([O-])=C1[C@@H](N(C2=NC=CS2)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=OJRAWCNCVSXQCX-KRWDZBQOSA-M

Formula

C21H13FN3O5S

Mass

438.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Aryl halide - Benzenoid - Aryl fluoride - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Vinylogous acid - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Ketone - Lactam - Cyclic ketone - Carboxamide group - C-nitro compound - Organic nitro compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organofluoride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organic cation - 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

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