Structure Information
Structure

Compound Identification

SMILES

CC1CCC(CCC2=NN3C(S2)=NC(N)=C(C3=O)[N+]([O-])=O)CC1

InChIKey

InChIKey=QDUSUMWBIVNDPD-UHFFFAOYSA-N

Formula

C14H19N5O3S

Mass

337.4

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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 - Aminopyrimidine - Pyrimidone - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Thiadiazole - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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