Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(NC(=O)C1=CC=C(F)C=C1)(NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=BMYFLUKWOYNMQI-UHFFFAOYSA-N

Formula

C18H12F4N4O5S

Mass

472.37

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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

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Benzoyl - Secondary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Thiazole - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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