Compound Identification
SMILES
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OC3=CC=C(C=C3)C(F)(F)F)OC3=CC=C(C=C3)C(F)(F)F)O2)C(=O)NC1=O
InChIKey
InChIKey=NESGITAWLKVETG-XUVXKRRUSA-N
Formula
C24H20F6N5O7P
Mass
635.416
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic phosphoric acids and derivatives
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Subclass
Phosphate esters
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Level 5
Aryl phosphates
- Level 6 Aryl phosphotriesters
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Level 5
Aryl phosphates
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Subclass
Phosphate esters
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Class
Organic phosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Aryl phosphates
Direct Parent
Aryl phosphotriesters
Alternative Parents
Trifluoromethylbenzenes Phenoxy compounds Pyrimidones Monoalkyl phosphates Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Azo compounds Azo imides Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organofluorides Organooxygen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl phosphotriester - Trifluoromethylbenzene - Phenoxy compound - Monoalkyl phosphate - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Alkyl phosphate - Benzenoid - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - Urea - Azo compound - Azo imide - Oxacycle - Azacycle - Organoheterocyclic compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
External Descriptors
Not available