Compound Identification
SMILES
ONC(=O)NN=CC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=BOXDLUPPJBUKFU-UHFFFAOYSA-N
Formula
C12H16Cl2N4O2
Mass
319.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
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
Dialkylarylamines Aniline and substituted anilines Semicarbazides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Semicarbazide - Tertiary amine - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl chloride - Amine - Alkyl halide - Hydrocarbon derivative - 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