Compound Identification
SMILES
C[C@H](OC(=O)C1=CC=C(O1)[N+]([O-])=O)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=NHSPUSJVRZFIKN-QMMMGPOBSA-N
Formula
C14H10ClNO6
Mass
323.69
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
Phenylpropanes Furoic acid esters Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Nitrofurans Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxides Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Furoic acid ester - Phenylpropane - Furoic acid or derivatives - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 2-nitrofuran - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic 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