Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(\C=C2/C=C(OC2=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=UCFKNLGXMYXTGE-GHRIWEEISA-N
Formula
C21H18Cl3NO2
Mass
422.73
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
Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Butenolides Enoate esters Enol esters Lactones Amino acids and derivatives Monocarboxylic acids and derivatives Oxacyclic compounds Alkyl chlorides Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 2-furanone - Benzenoid - Dihydrofuran - Enol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Lactone - Tertiary amine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Alkyl chloride - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen 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