Structure Information
Structure

Compound Identification

SMILES

CN1N=C(C)C(=C1NCCC1=CC=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=HUGUEQUYFYQFDW-UHFFFAOYSA-N

Formula

C13H16N4O2

Mass

260.297

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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 - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Azacycle - Organic salt - Organic oxide - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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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