Compound Identification
SMILES
CC1=CC(NC2=NC(NN\C=C3\C=C(Br)C=CC3=O)=NC(=N2)N2CCOCC2)=C(C)C=C1
InChIKey
InChIKey=CEKVVJICESAKBR-SSZFMOIBSA-N
Formula
C22H24BrN7O2
Mass
498.385
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
-
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
p-Xylenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Dialkylarylamines 1,3,5-triazines Morpholines Vinylogous amides Heteroaromatic compounds Vinyl bromides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Bromoalkenes Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - P-xylene - Xylene - O-quinomethane - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - Morpholine - Oxazinane - Triazine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Vinylogous amide - Azacycle - Dialkyl ether - Oxacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Ether - Vinyl bromide - Vinyl halide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Hydrazine derivative - 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