Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCN2C(=O)C3C(NC(C3C2=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C(O)=O)SC=N1

InChIKey

InChIKey=FIVWQOKXUOCKKE-UHFFFAOYSA-N

Formula

C19H17ClN4O6S

Mass

464.88

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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

Alpha amino acids Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds 4,5-disubstituted thiazoles Aralkylamines Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides N-alkylpyrrolidines Pyrroles Dicarboximides Heteroaromatic compounds Amino acids Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Dialkylamines Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Organic oxides Organochlorides Organic zwitterions Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 4,5-disubstituted 1,3-thiazole - Halobenzene - Aralkylamine - Chlorobenzene - Carboxylic acid imide, n-substituted - Aryl chloride - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Dicarboximide - Thiazole - Heteroaromatic compound - Pyrrole - Carboxylic acid imide - Azole - Lactam - Amino acid - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Amine - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organochloride - Organic oxide - Organohalogen 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

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