Compound Identification
SMILES
CCOC(=O)NC1=C[C@H](C=NC2=C(C)C=C(C=C2)N(CC)CC)C(C)=C(Cl)C1=O
InChIKey
InChIKey=PXALOSRQFNJYSK-MRXNPFEDSA-N
Formula
C22H28ClN3O3
Mass
417.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Aminotoluenes
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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
Aminotoluenes
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Carbamate esters Alpha-chloroketones Shiff bases Organic carbonic acids and derivatives Cyclic ketones Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Alpha-haloketone - Alpha-chloroketone - Carbamic acid ester - Ketone - Carbonic acid derivative - Shiff base - Tertiary amine - Cyclic ketone - Aldimine - Chloroalkene - Vinyl chloride - Vinyl halide - Haloalkene - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Imine - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available