Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C=C(C=C1)C([O-])=C1[C@H](N(C2=NC3=C(S2)C=C(C)C=C3)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=JZCWFGBQCFVYJA-HSZRJFAPSA-M

Formula

C27H20N3O6S

Mass

514.53

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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 - 1,3-benzothiazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - 3-pyrrolidone - Azole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Cyclic ketone - Amino acid or derivatives - Organic nitro compound - Tertiary amine - Carboxamide group - Ketone - Lactam - C-nitro compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organonitrogen compound - Organic oxygen compound - Amine - Organic cation - 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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