Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C(=O)CC2=NC3=NN=C(NC(=O)NC4=CC=C(Cl)C=C4)N3NC2=O)=C1Cl
InChIKey
InChIKey=XLSNIBDISOLPHL-UHFFFAOYSA-N
Formula
C19H12Cl2N8O5
Mass
503.26
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
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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
Alkyl-phenylketones
Alternative Parents
N-phenylureas Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes 1,2,4-triazines Aryl chlorides Triazoles Heteroaromatic compounds Vinylogous halides Lactams Ureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-phenylurea - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Triazine - Aryl chloride - Aryl halide - 1,2,4-triazine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Azole - Organic nitro compound - Lactam - C-nitro compound - Urea - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - 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