Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(C=C2C(=O)NN(C2=O)C2=CC=C(I)C=C2)C=C1
InChIKey
InChIKey=SNDUNYFMOYQORI-UHFFFAOYSA-N
Formula
C20H18Cl2IN3O2
Mass
530.19
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 Iodobenzenes Pyrazolidinones Aryl iodides Carboxylic acid hydrazides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Pyrazolidinone - Benzenoid - Pyrazolidine - Amino acid or derivatives - Tertiary amine - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organochloride - Organoiodide - 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