Compound Identification
SMILES
CCC1=CC=C(C=C1)C(=O)COC(=O)C1=CC(=C(C=C1)N1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=DZJMFISEGMVCJX-UHFFFAOYSA-N
Formula
C21H22N2O6
Mass
398.415
Taxonomic Classification
Taxonomy Tree
-
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
-
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
-
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
Phenylmorpholines Nitrobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzoate - Phenylmorpholine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Morpholine - Oxazinane - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxoazanium - Oxacycle - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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