Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=WETFHJRYOTYZFD-DJLDLDEBSA-N

Formula

C9H12N2O5

Mass

228.204

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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 - Substituted pyrrole - Oxolane - Pyrrole - Heteroaromatic compound - Secondary alcohol - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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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