Structure Information
Structure

Compound Identification

SMILES

CC1=NC(=O)C(=C(N1)N1CCC2=C(CC1)N=C(N)S2)[N+]([O-])=O

InChIKey

InChIKey=PZMDPBXWOPDNII-UHFFFAOYSA-N

Formula

C12H14N6O3S

Mass

322.34

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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 heteropolycyclic compounds

Substituents

Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Azepine - Pyrimidone - Hydropyrimidine - Pyrimidine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic 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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