Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl

InChIKey

InChIKey=QSHNQORUBZSFFT-UHFFFAOYSA-N

Formula

C12H15Cl2NO3

Mass

292.16

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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

Nitrogen mustard - Benzenoid - Monocyclic benzene moiety - Trisubstituted n-oxide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - N-oxide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - 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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