Structure Information
Structure

Compound Identification

SMILES

COS([O-])(=O)=O.C[N+]1=CN(CCCNC2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=OEDYFHRYKHQDQA-UHFFFAOYSA-M

Formula

C14H19ClN4O6S

Mass

406.84

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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

Not available

Substituents

Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl halide - N-substituted imidazole - Aryl chloride - Alkyl sulfate - Sulfuric acid monoester - Sulfuric acid ester - Sulfate-ester - Imidazole - Azole - Organic sulfuric acid or derivatives - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organic salt - Organochloride - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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