Structure Information
Structure

Compound Identification

SMILES

NCC1CCC(CNC2=NC(NCC3=C(Cl)C=CC(N)=C3)=NC=C2[N+]([O-])=O)CC1

InChIKey

InChIKey=CTEITPXLDGDWKF-UHFFFAOYSA-N

Formula

C19H26ClN7O2

Mass

419.91

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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

Benzylamine - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Imidolactam - Aryl chloride - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organochloride - Organonitrogen compound - Organohalogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Primary amine - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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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