Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(=NN1)C(O)=O)C(O)=O

InChIKey

InChIKey=MTMMQEWESIFXQJ-UHFFFAOYSA-N

Formula

C14H13N3O6

Mass

319.273

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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 - Dicarboxylic acid or derivatives - Pyridazine - Vinylogous amide - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Hydrazone - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Carbonyl group - 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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