Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC(O)=O)C=C(Br)C(\C=N/NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+]([O-])=O)=C1

InChIKey

InChIKey=BHWKSXRXIJCXEM-AFPJDJCSSA-N

Formula

C20H16BrN3O8

Mass

506.265

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxyacetate - Benzofuran - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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