Compound Identification
SMILES
COC1=NC(=NC(NN\C=C2\C=C(Br)C=CC2=O)=C1)C1=CC=CC=C1
InChIKey
InChIKey=OQYFTIRKEPSJFU-QBFSEMIESA-N
Formula
C18H15BrN4O2
Mass
399.248
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
Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Vinyl bromides Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organobromide - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Organohalogen compound - 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