Compound Identification
SMILES
OC(=O)CCN1C=C(N(CCCl)CCCl)C(=O)NC1=O
InChIKey
InChIKey=YJZHHUYNDYCOCG-UHFFFAOYSA-N
Formula
C11H15Cl2N3O4
Mass
324.16
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
Dialkylarylamines Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Lactam - Urea - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organopnictogen compound - Aromatic 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