Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1CC(=O)N(OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+]([O-])=O)C1=O

InChIKey

InChIKey=UPNUQQDXHCUWSG-UHFFFAOYSA-N

Formula

C16H18N6O9S

Mass

470.41

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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 - Phenylazide - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - 2-pyrrolidone - Pyrrolidone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Pyrrolidine - Dicarboximide - Azo imide - Amino acid or derivatives - Azo compound - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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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