Compound Identification
SMILES
CCOC(=O)CC1=CSC(N)=[N+]1CC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=NRBUAUKXXJYAIV-UHFFFAOYSA-O
Formula
C15H16N3O5S
Mass
350.37
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
Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Benzoyl derivatives 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organic salt - Organic cation - 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