Compound Identification
SMILES
COC(=O)C(=CNC1=CC=CC=C1)C(C)=O
InChIKey
InChIKey=GHJUCBFRHGDREQ-UHFFFAOYSA-N
Formula
C12H13NO3
Mass
219.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Fatty acid esters Beta-keto acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Methyl esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Enamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Beta-keto acid - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Keto acid - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Enamine - Allylamine - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available