Structure Information
Structure

Compound Identification

SMILES

ClCCN(CCCl)C1=CC=C(C=C2C(=O)NN(C2=O)C2=CC=C(I)C=C2)C=C1

InChIKey

InChIKey=SNDUNYFMOYQORI-UHFFFAOYSA-N

Formula

C20H18Cl2IN3O2

Mass

530.19

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Nitrogen mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Nitrogen mustard compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Pyrazolidinone - Benzenoid - Pyrazolidine - Amino acid or derivatives - Tertiary amine - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organochloride - Organoiodide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.

External Descriptors

Not available

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