Compound Identification
SMILES
COC1=C(NC(=O)CNC2=CC=C(C=C2)C(C)=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IVVCFCGTJUNIBV-UHFFFAOYSA-N
Formula
C17H17N3O5
Mass
343.339
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
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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
Alpha amino acid amides Nitrophenyl ethers Acetophenones Anilides Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Secondary alkylarylamines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid amide - Nitrophenyl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Acetophenone - Nitrobenzene - Anilide - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic zwitterion - Amine - Hydrocarbon derivative - Aromatic homomonocyclic 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