Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)C(CCN1CCC(CC1)N1CCCN(CC2=NNN=N2)C1=O)C1=CC=CC=C1

InChIKey

InChIKey=QRZPZCTTWXTFAH-FDEZRRJOSA-N

Formula

C31H39Cl2N9O3

Mass

656.61

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Aralkylamine - Chlorobenzene - Pyrimidone - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Pyrimidine - 1,3-diazinane - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Oxime ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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