Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(=C1)N1N=CC(C#N)=C1NN=C1C(=N)N(N=C1C(C)(C)C)C1=NC(=O)N=C(N1)N1N=C(C(=NNC2=C(C=NN2C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C#N)C1=N)C(C)(C)C)C(=O)OC

InChIKey

InChIKey=QSMVCDDMIAJNAF-UHFFFAOYSA-N

Formula

C45H43N19O9

Mass

993.963

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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 - Phenylpyrazole - Benzoate ester - Benzoyl - Amino-1,3,5-triazine - Triazinone - Triazine - 1,3,5-triazine - Imidolactam - Azole - Pyrazole - Pyrazoline - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Nitrile - Carbonitrile - Hydrazone - Carboxylic acid derivative - Amidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen 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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