Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC=C1C1=C(C(C2=CC(Br)=CC=C2)C(C#N)=C(N)O1)[N+]([O-])=O

InChIKey

InChIKey=CBDATKILVFMVJZ-UHFFFAOYSA-N

Formula

C20H14BrN3O5

Mass

456.252

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyran - Methyl ester - Carboxylic acid ester - Organic nitro compound - Ketene acetal or derivatives - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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