Compound Identification
SMILES
CCOC(=O)C1=C(C)N\C(=C/C2=CC=C(C)C=C2)C1=O
InChIKey
InChIKey=KDWLWASWDAEIAK-LCYFTJDESA-N
Formula
C16H17NO3
Mass
271.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Vinylogous amides Pyrrolines Enoate esters Cyclic ketones Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Pyrroline - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available