Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(NC2=NC(NN\C=C3\C=CC(=O)C(=C3)[N+]([O-])=O)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1

InChIKey

InChIKey=WSDSWEHSLNEQLO-SSZFMOIBSA-N

Formula

C24H21N9O5

Mass

515.49

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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 - Quinomethane - P-quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Cyclic ketone - C-nitro compound - Ketone - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Carbonyl group - Hydrazine derivative - Organic zwitterion - Organic oxide - 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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