Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CN1CCC1=CC=CC=C1

InChIKey

InChIKey=ZXBHYCRVSIUNAJ-UHFFFAOYSA-N

Formula

C13H13NO2

Mass

215.252

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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 Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

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