Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC1CCN(CCCC(=O)C2=CC3=C(OCCO3)C=C2)C1
InChIKey
InChIKey=QBSIYCDUZXZAAB-FZNWDQQTSA-N
Formula
C32H35N3O9
Mass
605.644
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Benzo-1,4-dioxanes Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Alkyl aryl ethers Para dioxins Dicarboxylic acids and derivatives Gamma-amino ketones N-alkylpyrrolidines Vinylogous amides Enoate esters Methyl esters Amino acids and derivatives Trialkylamines Enamines Oxacyclic compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Benzo-1,4-dioxane - Benzodioxane - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Dihydropyridine - Para-dioxin - N-alkylpyrrolidine - Hydropyridine - Gamma-aminoketone - Dicarboxylic acid or derivatives - Pyrrolidine - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Tertiary aliphatic amine - C-nitro compound - Amino acid or derivatives - Ketone - Tertiary amine - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Ether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available