Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1CN(C[C@@H](OC2=C(C=CC=N2)C#N)[C@@H](O1)C1=CC(F)=C(Cl)C=C1)C(O)=O

InChIKey

InChIKey=ILUODYYQZBORFR-KGNCLDLBSA-N

Formula

C22H23ClFN3O4

Mass

447.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

3-pyridinecarbonitriles

Intermediate Tree Nodes

Not available

Direct Parent

3-pyridinecarbonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-pyridinecarbonitrile - Para-oxazepine - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organofluoride - Organochloride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.

External Descriptors

Not available

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