Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)C(CC(O)=O)NC(=O)C(F)(F)F)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=HJJUORLLFVQCOS-UHFFFAOYSA-N

Formula

C13H12F3N3O6

Mass

363.249

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - N-arylamide - Toluene - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organofluoride - Organic oxide - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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