Compound Identification
SMILES
CC1(C)COP(=O)(OC1)C(C#N)C1=CC=CC=C1
InChIKey
InChIKey=QPKNLALYMZLHRC-UHFFFAOYSA-N
Formula
C13H16NO3P
Mass
265.249
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic phosphonic acids and derivatives
-
Subclass
Phosphonic acid diesters
- Level 5 Dialkyl alkylphosphonates
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Subclass
Phosphonic acid diesters
-
Class
Organic phosphonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphonic acids and derivatives
Subclass
Phosphonic acid diesters
Intermediate Tree Nodes
Not available
Direct Parent
Dialkyl alkylphosphonates
Alternative Parents
Phosphonic acid esters Benzene and substituted derivatives Oxacyclic compounds Nitriles Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkyl alkylphosphonate - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
External Descriptors
Not available