Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC2=C(C#N)C(N)=C(S2)C(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BBMXMYSEICDMIK-UHFFFAOYSA-N
Formula
C21H16N4O5S
Mass
436.44
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 Aryl-phenylketones
-
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
Aryl-phenylketones
Alternative Parents
Benzoic acid esters 3,4,5-trisubstituted-2-aminothiophenes Nitrobenzenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds N-arylated-2-aminothiophenes Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - N-arylated-2-aminothiophene - Aminothiophene - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Vinylogous amide - Thiophene - Heteroaromatic compound - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available