Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(OP([O-])(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=MHSVUSZEHNVFKW-UHFFFAOYSA-M
Formula
C12H8N2O8P
Mass
339.176
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 phosphodiesters
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Level 5
Aryl phosphates
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Subclass
Phosphate esters
-
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 phosphodiesters
Alternative Parents
Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl phosphodiester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
External Descriptors
META CYC (BIS-P-NITROPHENOLPHOSPHATE) : a small molecule