Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(\C=N/NC(=O)C2=NN(CC3=CC=C(Br)C=C3)C=C2[N+]([O-])=O)=N1

InChIKey

InChIKey=OESAVADKSPJVQY-UKWGHVSLSA-N

Formula

C18H15BrN6O3

Mass

443.261

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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 - Pyrazole-5-carboxamide - Bromobenzene - Halobenzene - Methylpyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organobromide - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - 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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