Compound Identification
SMILES
OC(=O)C1=C(NCC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C2=C(Cl)C=C(Cl)C=C2N1
InChIKey
InChIKey=QDVNPCZPYBFMIJ-UHFFFAOYSA-N
Formula
C17H11Cl2N3O5
Mass
408.19
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
Indolecarboxylic acids and derivatives Nitrobenzenes Indoles Pyrrole 2-carboxylic acids Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Substituted pyrroles Aryl chlorides Vinylogous amides Alpha-amino ketones Heteroaromatic compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organochlorides Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indolecarboxylic acid derivative - Indole - Indole or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Vinylogous amide - Alpha-aminoketone - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - Amino acid - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organic oxoazanium - Azacycle - Organopnictogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Amine - 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