Structure Information
Structure

Compound Identification

SMILES

CCCCNC1=CC(C)=NC(OS(=O)(=O)C(F)(F)F)=C1[N+]([O-])=O

InChIKey

InChIKey=IMFHOJAZVYEPBU-UHFFFAOYSA-N

Formula

C11H14F3N3O5S

Mass

357.3

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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

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Trifluoromethanesulfonate - Aminopyridine - Secondary aliphatic/aromatic amine - Methylpyridine - Pyridine - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Trihalomethane - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Alkyl halide - Amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Halomethane - Organohalogen compound - Alkyl fluoride - Organic salt - Organic nitrogen compound - Organic zwitterion - 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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