Structure Information
Structure

Compound Identification

SMILES

NC1=C(C(NC2=CC=CC=C2F)=NC(NCCCN2CCOCC2)=N1)[N+]([O-])=O

InChIKey

InChIKey=UURXWXGXAWWKQC-UHFFFAOYSA-N

Formula

C17H22FN7O3

Mass

391.407

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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

Aniline or substituted anilines - Nitroaromatic compound - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - Imidolactam - Oxazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Primary amine - Hydrocarbon derivative - Organic zwitterion - 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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