Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(NCCN2CCNCC2)C=CN=C1

InChIKey

InChIKey=LKBUELNQVBMSES-UHFFFAOYSA-N

Formula

C11H17N5O2

Mass

251.29

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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 - Aminopyridine - Secondary aliphatic/aromatic amine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - 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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