Structure Information
Structure

Compound Identification

SMILES

NC(=N)C1=CC(=C(NCCCNC2=C(C=C(C=C2)C(N)=N)[N+]([O-])=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZMDDUDRQHBLMAP-UHFFFAOYSA-N

Formula

C17H20N8O4

Mass

400.399

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Amidine - Carboxylic acid amidine - Organic oxoazanium - Secondary amine - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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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