Structure Information
Structure

Compound Identification

SMILES

CC1(C)O[C@H]2[C@H](Br)O[C@H](COC(=O)C3=CC=C(C=C3)[N+]([O-])=O)[C@H]2O1

InChIKey

InChIKey=OXMCAVLUZFMZOB-FDYHWXHSSA-N

Formula

C15H16BrNO7

Mass

402.197

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ketal - Monosaccharide - Meta-dioxolane - Oxolane - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Alkyl bromide - Alkyl halide - Organic cation - Aromatic heteropolycyclic 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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