Compound Identification
SMILES
CCOC1=CC(Br)=C\C(=C\NNC(=O)C2=C(C)ON=C2C2=CC=CC=C2)C1=O
InChIKey
InChIKey=LKEMSNXEHCFSRN-KAMYIIQDSA-N
Formula
C20H18BrN3O4
Mass
444.285
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
Benzene and substituted derivatives Vinylogous amides Isoxazoles Heteroaromatic compounds Carboxylic acid hydrazides Vinyl bromides Oxacyclic compounds Bromoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Vinyl bromide - Vinyl halide - Azacycle - Bromoalkene - Organoheterocyclic compound - Haloalkene - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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