Structure Information
Structure

Compound Identification

SMILES

CCC(=O)NN1C=CN(CCCN2C=CN=C2[N+]([O-])=O)C1[N+]([O-])=O

InChIKey

InChIKey=RXGQSXKYAZWCQD-UHFFFAOYSA-N

Formula

C12H17N7O5

Mass

339.312

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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 - N-substituted imidazole - Azole - Imidazole - 4-imidazoline - Heteroaromatic compound - Carboxylic acid hydrazide - Orthocarboxylic acid derivative - Ortho amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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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