Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(NC2=NC(NN=CC3=CC=C(C=NNC4=NC(NC5=CC=C(C=C5)[N+]([O-])=O)=NC(NC5=CC(C)=C(C)C=C5)=N4)C=C3)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1

InChIKey

InChIKey=JPDDUJGAAFWGRN-UHFFFAOYSA-N

Formula

C42H38N16O4

Mass

830.874

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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 - 2,4-diamine-s-triazine - Nitroaromatic compound - O-xylene - Xylene - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Hydrazone - Amine - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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