Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(=CN1CCC1=CC=CC=C1)C#N

InChIKey

InChIKey=KRBHNLFMZDOLGK-UHFFFAOYSA-N

Formula

C14H12N2O2

Mass

240.262

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Pyrrole carboxylic acids and derivatives

Intermediate Tree Nodes

Pyrrole carboxylic acids

Direct Parent

Pyrrole 2-carboxylic acids

Alternative Parents

Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Nitriles Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrrole-2-carboxylic acid - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.

External Descriptors

Not available

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