Structure Information
Structure

Compound Identification

SMILES

[O-][N+]([O-])=O.C[C@H]1C[C@@H]1CN1C(C)=C(C)C2=CN=NC(OCC3=CC=C(F)C=C3)=C12

InChIKey

InChIKey=CYRKJMPAAYEYGB-CVHDTDHSSA-N

Formula

C20H22FN4O4

Mass

401.419

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Halobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Fluorobenzenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl aryl ether - Fluorobenzene - Aryl fluoride - Aryl halide - Pyridazine - Substituted pyrrole - Heteroaromatic compound - Organic nitrate - Pyrrole - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.

External Descriptors

Not available

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