Compound Identification
SMILES
CC1=CC(OC(=O)N(CCCl)CCCl)=CC(C)=C1N=O
InChIKey
InChIKey=FZFLXPZCRIPDIE-UHFFFAOYSA-N
Formula
C13H16Cl2N2O3
Mass
319.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
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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
m-Xylenes Phenoxy compounds Carbamate esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
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