Structure Information
Structure

Compound Identification

SMILES

CCC1=NC(NCCOC(=O)C=C)=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C(NCCOC(=O)C=C)=N1

InChIKey

InChIKey=LFXUBZJVEHKJPB-UHFFFAOYSA-N

Formula

C22H25N7O6

Mass

483.485

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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 - Nitroaromatic compound - Aminopyrimidine - Dicarboxylic acid or derivatives - Acrylic acid ester - Pyrimidine - Imidolactam - Acrylic acid or derivatives - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azo compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Amine - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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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