Compound Identification
SMILES
COC1=CC(=O)\C(C=C1)=C1/ONC(=N1)C1=C(Br)C=CC=N1
InChIKey
InChIKey=VFPKHVWBJAZTGH-ZROIWOOFSA-N
Formula
C14H10BrN3O3
Mass
348.156
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
Pyridines and derivatives Imidolactams Aryl bromides Vinylogous esters Heteroaromatic compounds Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Amidines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Amidine - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - 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