Compound Identification
SMILES
CC1=CC2=C([C@@H](C3=CC=CC=C3Cl)C(C#N)=C(N)O2)C(=O)O1
InChIKey
InChIKey=NXJIUFBSYJBPKQ-ZDUSSCGKSA-N
Formula
C16H11ClN2O3
Mass
314.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrans
- Subclass Pyranones and derivatives
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Class
Pyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrans
Subclass
Pyranones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyranones and derivatives
Alternative Parents
Chlorobenzenes Aryl chlorides Vinylogous esters Heteroaromatic compounds Lactones Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Oxacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.
External Descriptors
Not available