Structure Information
Structure

Compound Identification

SMILES

OC(=O)N1CCC(C1)C(C#N)(C1=CC=C(Cl)C=C1)C1=CC=CC=N1

InChIKey

InChIKey=KTUYWLCLVCECKY-UHFFFAOYSA-N

Formula

C18H16ClN3O2

Mass

341.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Pyrrolidine carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolidine carboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrrolidine carboxylic acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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