Structure Information
Structure

Compound Identification

SMILES

CNC(=S)C1(CCCCC1OC(=O)C1=CC=CC=C1)N1C=NC(=C1)[N+]([O-])=O

InChIKey

InChIKey=AZDKTCRDNZKNNE-UHFFFAOYSA-N

Formula

C18H20N4O4S

Mass

388.44

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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 heteromonocyclic compounds

Substituents

Benzoate ester - Nitroaromatic compound - Benzoyl - Nitroimidazole - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Thioamide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thiocarboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Thiocarbonyl group - Organic zwitterion - Aromatic heteromonocyclic 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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