Structure Information
Structure

Compound Identification

SMILES

CNC(NCCSCC1=CC=C(C[N+](C)(C)[O-])O1)=C[N+]([O-])=O

InChIKey

InChIKey=DFJVUWAHTQPQCV-UHFFFAOYSA-N

Formula

C13H22N4O4S

Mass

330.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Heteroaromatic compounds

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Heteroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Heteroaromatic compound - Trialkyl amine oxide - Furan - Organic nitro compound - C-nitro compound - Organic oxoazanium - N-oxide - Oxacycle - Thioether - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Sulfenyl compound - Secondary aliphatic amine - Trisubstituted n-oxide - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.

External Descriptors

CHEBI:83498 : C-nitro compound - furans - N-oxide

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