Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(S1)N1C(C(=C(O)C2=CC3=C(OCCO3)C=C2)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=QQSBHZYGKIUVGV-UHFFFAOYSA-N

Formula

C22H16N4O7S

Mass

480.45

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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 heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Para-dioxin - Benzenoid - Azole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Vinylogous acid - Organic nitro compound - Cyclic ketone - Carboxamide group - Ketone - Lactam - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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

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