Compound Identification
SMILES
OC(=O)C(\CC(=O)C1=CC=C(Cl)C=C1)=N\NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=QXLXMMFVSQRUMS-CPNJWEJPSA-N
Formula
C16H11ClN4O7
Mass
406.74
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
Butyrophenones Nitrobenzenes Aryl alkyl ketones Phenylhydrazines Benzoyl derivatives Gamma-keto acids and derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Hydrazones Monocarboxylic acids and derivatives Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Keto acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organonitrogen compound - Organic nitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Aromatic homomonocyclic 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