Structure Information
Structure

Compound Identification

SMILES

NC1=C(C(NCCO)=NC(NCC2CCCO2)=N1)[N+]([O-])=O

InChIKey

InChIKey=CKGBPZCRJULSOR-UHFFFAOYSA-N

Formula

C11H18N6O4

Mass

298.303

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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 - Aminopyrimidine - Pyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Alkanolamine - Dialkyl ether - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Primary amine - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Alcohol - Amine - Organic nitrogen compound - 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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