Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C([O-])=O.COC1=C(C(=O)C2=CC=CN2CC(C)[NH+](C)C)C(Br)=CC=C1
InChIKey
InChIKey=NOBRFESJNKGQOO-UHFFFAOYSA-N
Formula
C23H29BrN2O9
Mass
557.394
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
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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
Tricarboxylic acids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Substituted pyrroles Heteroaromatic compounds Vinylogous halides Trialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Aryl-phenylketone - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous halide - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Amine - Organopnictogen compound - Organic salt - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - 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