Compound Identification
SMILES
CN1C(=O)C(Br)=C(Br)C1(O)C1=CN=CC=C1
InChIKey
InChIKey=KTXPVEPIXXSNIM-UHFFFAOYSA-N
Formula
C10H8Br2N2O2
Mass
347.994
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
Pyridines and derivatives Vinylogous halides Tertiary carboxylic acid amides Pyrrolines Heteroaromatic compounds Lactams Bromohydrins Vinyl bromides Alkanolamines Azacyclic compounds Bromoalkenes Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Pyridine - Pyrroline - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Bromohydrin - Carboxamide group - Halohydrin - Lactam - Vinyl halide - Vinyl bromide - Bromoalkene - Haloalkene - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkanolamine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Organopnictogen compound - Organic oxide - 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