Structure Information
Structure

Compound Identification

SMILES

CN1CC[C@H]2[N@](CCO)[C@@]2(CN2C=CN=C2[N+]([O-])=O)C1

InChIKey

InChIKey=KTQHHGPLUYQWLA-SIVJFFJCSA-N

Formula

C12H19N5O3

Mass

281.316

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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 heteropolycyclic compounds

Substituents

Nitroaromatic compound - 1,4-diazepane - Diazepane - N-substituted imidazole - Piperidine - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Alkanolamine - Aziridine - Organic oxoazanium - Alcohol - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Primary alcohol - Organic zwitterion - Organic salt - Aromatic heteropolycyclic 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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