Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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