Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.[O-][N+](=O)C1=C(NCCN2CCCC2)C=CC=N1

InChIKey

InChIKey=LIVWXXFTYPUPJM-UHFFFAOYSA-N

Formula

C13H18N4O6

Mass

326.309

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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

Not available

Substituents

Nitroaromatic compound - Aminopyridine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Pyridine - Imidolactam - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic salt - Organic oxygen 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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