Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(N=CC=C1)[C@@H](C#N)C1=CC=CC=N1

InChIKey

InChIKey=QIJWZKVYVHEKPL-VIFPVBQESA-N

Formula

C12H8N4O2

Mass

240.222

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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 - Pyridine - Heteroaromatic compound - Carbonitrile - Nitrile - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organonitrogen compound - Cyanide - Organic oxygen 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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