Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C(=O)C(C2=NC3=NN=C(NC(=O)NC4=CC=C(Cl)C=C4)N3C2=O)C2=NC3=NN=C(NC(=O)NC4=CC=C(Cl)C=C4)N3C2=O)=C1Cl
InChIKey
InChIKey=DAOCBFUDVXXTII-UHFFFAOYSA-N
Formula
C30H16Cl3N13O7
Mass
776.89
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 Alkyl-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
Alkyl-phenylketones
Alternative Parents
N-phenylureas Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Lactams Ketimines Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-phenylurea - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Organic nitro compound - Urea - Ketimine - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Imine - Organic zwitterion - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available