Structure Information
Structure

Compound Identification

SMILES

CN1N=C(C(C(C#N)C2=CC=CC=N2)=C(Cl)C1=O)[N+]([O-])=O

InChIKey

InChIKey=ZYSJYQBAWUHFAF-UHFFFAOYSA-N

Formula

C12H8ClN5O3

Mass

305.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Pyridine - Imidolactam - Heteroaromatic compound - Lactam - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic zwitterion - Organic salt - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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