Structure Information
Structure

Compound Identification

SMILES

COCC1=CC(C)=[NH+]C(OCC(=O)NN=CC2=CC(=C([O-])C(I)=C2)[N+]([O-])=O)=C1C#N

InChIKey

InChIKey=KYMFDJDHWXWXSZ-UHFFFAOYSA-N

Formula

C18H16IN5O6

Mass

525.259

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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 - 3-pyridinecarbonitrile - Alkyl aryl ether - Halobenzene - Iodobenzene - Phenoxide - Methylpyridine - Aryl halide - Aryl iodide - Pyridine - Pyridinium - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - 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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