Structure Information
Structure

Compound Identification

SMILES

ClCCN(CCCl)C1=CC=C(\C=C2/C=C(OC2=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=UCFKNLGXMYXTGE-GHRIWEEISA-N

Formula

C21H18Cl3NO2

Mass

422.73

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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

Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 2-furanone - Benzenoid - Dihydrofuran - Enol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Lactone - Tertiary amine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Alkyl chloride - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - 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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