Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=BQRBUMZIXXIQEH-LJAQVGFWSA-N
Formula
C31H28N2O8
Mass
556.571
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
-
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 Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Alpha-acyloxy ketones Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylamines Enamines Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Dihydropyridine - Alpha-acyloxy ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Benzenoid - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Organonitrogen compound - 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