Compound Identification
SMILES
NCC\C(N=O)=C1/NC=C(C=C1)C1=CC=C(C=C1)[C@@H](O)[C@@H](CF)NC(=O)C(F)F
InChIKey
InChIKey=VJFJOEKUNHKZKX-MHYRICRISA-N
Formula
C19H21F3N4O3
Mass
410.397
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
Dihydropyridines Benzene and substituted derivatives Secondary carboxylic acid amides Amino acids and derivatives Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines C-nitroso compounds Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Dihydropyridine - Hydropyridine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Enamine - C-nitroso compound - Organic nitroso compound - Alcohol - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organooxygen compound - Primary amine - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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