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Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(N\N=C2/C(=O)OC3C(COC23N=NC2=CC=C(C=C2)[N+]([O-])=O)OC(=O)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=HUZWJXFUPLECBX-NUUIWSHISA-N

Formula

C25H18N6O9

Mass

546.452

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Furofuran - Phenylhydrazine - Gamma butyrolactone - Oxolane - Azo compound - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrazone - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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