Compound Identification
SMILES
CC1=C(C)C(C(=O)C2=CC=C(Br)C=C2)=C(NC(=O)C2=CC=CO2)S1
InChIKey
InChIKey=BNMGXMFOARIKBD-UHFFFAOYSA-N
Formula
C18H14BrNO3S
Mass
404.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl 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 - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes Thiophene carboxylic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Furoic acid and derivatives Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Aldehydes Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - 2-heteroaryl carboxamide - Furoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Thiophene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available