Structure Information
Structure

Compound Identification

SMILES

OC(=O)CSCC(NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=BJHCIIGBNBTLBY-UHFFFAOYSA-N

Formula

C11H11N3O8S

Mass

345.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Aniline and substituted anilines

Intermediate Tree Nodes

Not available

Direct Parent

Dinitroanilines

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dinitroaniline - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Amino acid or derivatives - C-nitro compound - Amino acid - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Secondary amine - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.

External Descriptors

Not available

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