Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)C1=C(F)C2=NC=C(N2C=C1)C1=NC(=NC=C1)C1=C(C=C(F)C=C1)C(N)=O

InChIKey

InChIKey=ZMOZGLVFHZTMHQ-UHFFFAOYSA-N

Formula

C21H17F2N5O2

Mass

409.397

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Imidazopyridine - Benzamide - Imidazo[1,2-a]pyridine - Benzoyl - Fluorobenzene - Halobenzene - N-substituted imidazole - Aryl fluoride - Pyrimidine - Pyridine - Aryl halide - Heteroaromatic compound - Tertiary alcohol - Azole - Imidazole - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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