Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=CO2)C2=C(O1)C=CC(=CNC1=CC=C(Br)C=C1)C2=O
InChIKey
InChIKey=MJSYAZVWNYGOTL-UHFFFAOYSA-N
Formula
C21H14BrN3O3
Mass
436.265
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Aniline and substituted anilines Bromobenzenes Pyrans Aryl bromides Vinylogous esters Vinylogous amides Furans Heteroaromatic compounds Ketene acetals Enamines Oxacyclic compounds Secondary amines Allylamines Nitriles Aldehydes Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aniline or substituted anilines - O-quinomethane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Furan - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Ketene acetal or derivatives - Enamine - Allylamine - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Amine - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available