Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(=C1)N1C(C)=CC(C(=O)C(=CC2=CC=C(O2)C2=CC=C(Br)C=C2)C#N)=C1C)C(=O)OC

InChIKey

InChIKey=SZXGJDPMJWCTRL-UHFFFAOYSA-N

Formula

C30H23BrN2O6

Mass

587.426

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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

Phthalic acid and derivatives - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - 1-phenylpyrrole - Benzoate ester - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Substituted pyrrole - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Methyl ester - Enone - Pyrrole - Furan - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Cyanide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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