Structure Information
Structure

Compound Identification

SMILES

C[NH+]1CCN(CC1)C(=O)CN1N=C(C(Br)=C1C)[N+]([O-])=O

InChIKey

InChIKey=VPHYIXVPASWJLK-UHFFFAOYSA-O

Formula

C11H17BrN5O3

Mass

347.192

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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 - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Imidolactam - Azole - Pyrazole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organobromide - Organonitrogen compound - Organohalogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - 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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