Structure Information
Structure

Compound Identification

SMILES

CCCCC(=O)C1=NOC(CCCC)=C1[N+]([O-])=O

InChIKey

InChIKey=PCHORMYYRXSGNP-UHFFFAOYSA-N

Formula

C12H18N2O4

Mass

254.286

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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

Aryl ketone - Nitroaromatic compound - Aryl alkyl ketone - Azole - Isoxazole - Heteroaromatic compound - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - 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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