Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)O[C@H]1[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1

InChIKey

InChIKey=OKWSQQYAHYYMDR-XXFURDKYSA-N

Formula

C36H33Cl3N2O9

Mass

744.02

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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 - O-glycosyl compound - Glycosyl compound - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monosaccharide - Oxane - C-nitro compound - Organic nitro compound - Imido ester - Carboxylic acid ester - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboximidic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Organic cation - 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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