Compound Identification
SMILES
[O-][N+]([O-])=O.C[C@H]1C[C@@H]1CN1C(C)=C(C)C2=CN=NC(OCC3=CC=C(F)C=C3)=C12
InChIKey
InChIKey=CYRKJMPAAYEYGB-CVHDTDHSSA-N
Formula
C20H22FN4O4
Mass
401.419
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Fluorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Alkyl aryl ethers Substituted pyrroles Pyridazines and derivatives Aryl fluorides Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Fluorobenzene - Aryl fluoride - Aryl halide - Pyridazine - Substituted pyrrole - Heteroaromatic compound - Organic nitrate - Pyrrole - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors
Not available