Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)NCC1=CN(N=N1)C1=NC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=JAFVYTKAFXZZJV-UHFFFAOYSA-N

Formula

C13H16N6O4

Mass

320.309

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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

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Pyridine - Azole - 1,2,3-triazole - Heteroaromatic compound - Carbamic acid ester - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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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