Structure Information
Structure

Compound Identification

SMILES

CC1=CC(OC(=O)N(CCCl)CCCl)=CC(C)=C1N=O

InChIKey

InChIKey=FZFLXPZCRIPDIE-UHFFFAOYSA-N

Formula

C13H16Cl2N2O3

Mass

319.18

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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 homomonocyclic compounds

Substituents

Phenoxy compound - Nitrogen mustard - Xylene - M-xylene - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic nitroso compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Organic oxide - Aromatic homomonocyclic 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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