Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C(=O)N1CCN(C(=O)C2=CC(=CC=C2)[N+]([O-])=O)C1=S

InChIKey

InChIKey=KYVXINMFFGFWQZ-UHFFFAOYSA-N

Formula

C17H12N4O6S

Mass

400.37

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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

Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidazolidine - Amino acid or derivatives - C-nitro compound - Tertiary amine - Thiourea - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic oxide - 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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