Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CCCCC1=CNC(NCCSCC2=C(C)NC=N2)=C1[N+]([O-])=O

InChIKey

InChIKey=KYARXRLXUWJZKC-WLHGVMLRSA-N

Formula

C19H27N5O6S

Mass

453.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Not available

Substituents

Nitroaromatic compound - Dicarboxylic acid or derivatives - Substituted pyrrole - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Imidazole - Pyrrole - Azole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxoazanium - Thioether - Organoheterocyclic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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