Compound Identification
SMILES
C[S+](C)C(C1C2=C(NO[N+]2=O)C(C=C1[N+]([O-])=O)=[N+]([O-])[O-])C(=O)C1=CC=CC=C1
InChIKey
InChIKey=KVRODWMPFFBKJX-UHFFFAOYSA-N
Formula
C16H15N4O7S
Mass
407.38
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
Benzoxadiazoles Aryl alkyl ketones Benzoyl derivatives C-nitro compounds Nitronic acids Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Aldehydes Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organopnictogen compounds Organosulfur compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoxadiazole - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Nitronic acid - Organic nitro compound - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aldehyde - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic cation - 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