Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO

InChIKey

InChIKey=RGWCTBNXYGFYBI-YIYPIFLZSA-N

Formula

C17H21NO10

Mass

399.352

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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

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ketal - Dicarboxylic acid or derivatives - Meta-dioxolane - Methyl ester - 1,2-diol - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Carbonyl group - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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