Structure Information
Structure

Compound Identification

SMILES

NC1=NC=NC2=C1C=CN2[C@@H]1O[C@@](COC(=O)C2=CC(Cl)=CC=C2)(N=[N+]=[N-])[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1F

InChIKey

InChIKey=JLQRVEROPUYKBS-NVNZTLJMSA-N

Formula

C25H19ClFN7O5

Mass

551.92

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Oxolane - Pyrrole - Azo compound - Amino acid or derivatives - Azo imide - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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