Compound Identification
SMILES
CC1=CC=C(NC2=NC(NN\C=C3/C=C(Br)C=C(Br)C3=O)=NC(CN3CCOCC3)=N2)C=C1
InChIKey
InChIKey=WZEUQTBJQFHNBZ-NTCAYCPXSA-N
Formula
C22H23Br2N7O2
Mass
577.281
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 Toluenes Aminotriazines Aralkylamines 1,3,5-triazines Morpholines Vinylogous amides Alpha-haloketones Heteroaromatic compounds Trialkylamines Vinyl bromides Secondary amines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Bromoalkenes Organic oxides Organobromides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aniline or substituted anilines - Aminotriazine - Amino-1,3,5-triazine - Toluene - Aralkylamine - Monocyclic benzene moiety - Morpholine - 1,3,5-triazine - Oxazinane - Triazine - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Vinyl halide - Vinyl bromide - Oxacycle - Dialkyl ether - Ether - Azacycle - Bromoalkene - Secondary amine - Haloalkene - Organoheterocyclic compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Organic oxide - Organic nitrogen compound - Amine - 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