Structure Information
Structure

Compound Identification

SMILES

Cl.OC(CN1CCC(=CC1)C1=NNC(=O)CS1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=OBEHINDRUFNQHO-UHFFFAOYSA-N

Formula

C16H19ClN4O4S

Mass

398.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Aralkylamine - Hydropyridine - Tertiary amine - Organic nitro compound - C-nitro compound - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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