Structure Information
Structure

Compound Identification

SMILES

CC(C)(OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C#CBr

InChIKey

InChIKey=JZCXNZAGQVUQKK-UHFFFAOYSA-N

Formula

C12H10BrNO4

Mass

312.119

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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 homomonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ynone - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Haloacetylene or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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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