Structure Information
Structure

Compound Identification

SMILES

COC(=O)N1C[C@@H](OC(=O)C2=CC=C(Br)C=C2)[C@@H](OC1(C)C)[C@@H](OC(=O)C1=CC=C(Br)C=C1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=FFPUXWYXFOCXDF-DSNGMDLFSA-N

Formula

C29H26Br2N2O9

Mass

706.34

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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

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoate ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Oxazinane - 1,3-oxazinane - Aryl halide - Methylcarbamate - Carbamic acid ester - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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