Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN(CC2=CC=CC=C2)N=C1OCC1CO1

InChIKey

InChIKey=QSMKJMUHAXFFJH-UHFFFAOYSA-N

Formula

C13H13N3O4

Mass

275.264

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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 - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Oxirane - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - 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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