Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=C(OC(=O)C(=O)OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=CBZOGAWUNMFXFQ-UHFFFAOYSA-N

Formula

C14H6N4O12

Mass

422.218

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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 homomonocyclic compounds

Substituents

Phenoxyacetate - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic 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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