Structure Information
Structure

Compound Identification

SMILES

CN(CC(=O)OC(C)(C)C)C1=C(C(OC2=C(Cl)C=C(F)C=C2)=NC=N1)[N+]([O-])=O

InChIKey

InChIKey=JKBXZMHRUCZQIY-UHFFFAOYSA-N

Formula

C17H18ClFN4O5

Mass

412.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Diaryl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organofluoride - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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