Structure Information
Structure

Compound Identification

SMILES

COC1CC(O)(CC#N)C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)O1

InChIKey

InChIKey=QWIFPPAVHFUIAH-UHFFFAOYSA-N

Formula

C23H21N3O11

Mass

515.431

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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

Hexose monosaccharide - Nitrobenzoate - Glycosyl compound - O-glycosyl compound - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Tertiary alcohol - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic salt - Organopnictogen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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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