Compound Identification
SMILES
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OC3=CC=CC(=C3)[N+]([O-])=O)OC3=CC=CC(=C3)[N+]([O-])=O)O2)C(=O)NC1=O
InChIKey
InChIKey=OTOARMFQGQSMPB-XUVXKRRUSA-N
Formula
C22H20N7O11P
Mass
589.414
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
Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Monoalkyl phosphates Pyrimidones Hydropyrimidines Heteroaromatic compounds Vinylogous amides Oxolanes Azo imides Ureas Lactams Azo compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl phosphotriester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monoalkyl phosphate - Pyrimidone - Alkyl phosphate - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Oxolane - Organic nitro compound - C-nitro compound - Urea - Lactam - Azo imide - Azo compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - 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