Compound Identification
SMILES
CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(O)=O
InChIKey
InChIKey=QXZLUBFLEDUMDB-UHFFFAOYSA-N
Formula
C13H14N2O5
Mass
278.264
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Pyrrole 2-carboxylic acids Fatty acid esters Beta-keto acids and derivatives Substituted pyrroles Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Heteroaromatic compounds Carboxylic acid esters Nitriles Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Dicarboxylic acid or derivatives - Keto acid - Substituted pyrrole - 1,3-dicarbonyl compound - Fatty acyl - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available