Compound Identification
SMILES
COC(=O)CC(=O)C1=CC=C(OC2=NC=NC(N3CC(C)OC(C)C3)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=NCBXNMNQIAZVBY-UHFFFAOYSA-N
Formula
C20H22N4O7
Mass
430.417
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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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
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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
Diarylethers Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds Morpholines Imidolactams Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic salts Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Diaryl ether - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Dialkylarylamine - Aminopyrimidine - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Keto acid - Morpholine - Oxazinane - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Imidolactam - Fatty acyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Dialkyl ether - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Carboxylic acid derivative - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Amine - Organic salt - Organic oxide - Hydrocarbon derivative - 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