Structure Information
Structure

Compound Identification

SMILES

COC1NC(=O)C(Cl)=CC1(Cl)C(=O)CCC(=O)OC

InChIKey

InChIKey=WHDFMHHQQRJELS-UHFFFAOYSA-N

Formula

C11H13Cl2NO5

Mass

310.13

Export to:

JSON SDF CSV

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

Gamma-keto acids and derivatives Fatty acid methyl esters Hydropyridines Methyl esters Alpha-chloroketones Secondary carboxylic acid amides Lactams Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Gamma-keto acid - Nitrogen mustard - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Hydropyridine - Keto acid - Alpha-haloketone - Alpha-chloroketone - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Monocarboxylic acid or derivatives - Vinyl chloride - Alkyl halide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Aliphatic 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

Previous Back Next