Structure Information
Structure

Compound Identification

SMILES

COCC1=C(C#N)C(OCC(=O)NN=CC2=CC=C(O2)C2=C(C)C=CC(=C2)[N+]([O-])=O)=NC(C)=C1Br

InChIKey

InChIKey=HUCLRXQOSDGDDP-UHFFFAOYSA-N

Formula

C23H20BrN5O6

Mass

542.346

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitrotoluene - Nitroaromatic compound - 3-pyridinecarbonitrile - Alkyl aryl ether - Methylpyridine - Toluene - Aryl bromide - Aryl halide - Pyridine - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Cyanide - Organopnictogen compound - Carbonyl group - Organic salt - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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