Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(NC(=O)N2CCCN(CC3=C(Cl)N(C)N=C3C)CC2)=C1)C(=O)OC

InChIKey

InChIKey=LMGJKIMAHFEIHQ-UHFFFAOYSA-N

Formula

C22H28ClN5O5

Mass

477.95

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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 - N-phenylurea - Benzoate ester - Benzoyl - 1,4-diazepane - Diazepane - Aralkylamine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Methyl ester - Pyrazole - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - 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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