Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C(CCCNC2=C(C=CC(F)=C2)[N+]([O-])=O)=C(N)N1

InChIKey

InChIKey=YZMDGGPDMFEXAB-UHFFFAOYSA-N

Formula

C13H15FN6O3

Mass

322.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aminopyrimidine - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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