Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCCC\C(NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=C1/NC(=O)N=C1C

InChIKey

InChIKey=IJHZZNZAUVJFDP-DTQAZKPQSA-N

Formula

C17H20N6O7

Mass

420.382

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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 - Imidazolyl carboxylic acid derivative - Phenylhydrazine - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - 3-imidazoline - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrazine derivative - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic oxygen 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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