Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C(=NN1CC(=O)N1CCN(CC1)C12CC3CC(CC(C3)C1)C2)[N+]([O-])=O

InChIKey

InChIKey=MGXIPEDNGLURJP-UHFFFAOYSA-N

Formula

C20H28BrN5O3

Mass

466.38

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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 heteropolycyclic compounds

Substituents

Nitroaromatic compound - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Imidolactam - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organobromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Organic salt - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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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