Compound Identification
SMILES
COC(=O)CC(=O)C1=CC=C(OC2=NC=NC(N3CCN(CC4=CC5=C(OCO5)C=C4)CC3)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=SXDPNOJASHSGEE-UHFFFAOYSA-N
Formula
C26H25N5O8
Mass
535.513
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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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
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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
N-arylpiperazines Diarylethers Benzodioxoles Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Aralkylamines Beta-keto acids and derivatives N-alkylpiperazines Fatty acid esters 1,3-dicarbonyl compounds Imidolactams Heteroaromatic compounds Methyl esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Diaryl ether - Benzodioxole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Dialkylarylamine - Aryl alkyl ketone - Aminopyrimidine - Beta-keto acid - Fatty acid ester - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Keto acid - Piperazine - Pyrimidine - 1,3-dicarbonyl compound - Fatty acyl - Benzenoid - Imidolactam - Methyl ester - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Organic zwitterion - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic 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