Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(C2=C1CC(=O)CC2C#N)[N+]([O-])=O

InChIKey

InChIKey=NCMKERHYCMUJAM-UHFFFAOYSA-N

Formula

C12H9BrN2O4

Mass

325.118

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Nitronaphthalenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitronaphthalenes

Alternative Parents

Tetralins Methoxyanilines Nitroaromatic compounds Anisoles Alkyl aryl ethers Aryl bromides Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-nitronaphthalene - Tetralin - Methoxyaniline - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Cyclic ketone - C-nitro compound - Ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Ether - Organic oxoazanium - Nitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.

External Descriptors

Not available

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