Compound Identification
SMILES
CC1=CC=CC(C(=O)NNC(=C)CC(=O)NC2=C(Cl)C=C(Cl)C=C2)=C1O
InChIKey
InChIKey=WBKXEOUBQOGYPH-UHFFFAOYSA-N
Formula
C18H17Cl2N3O3
Mass
394.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Salicylamides m-Toluamides Anilides Benzoyl derivatives Dichlorobenzenes N-arylamides Ortho cresols 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Vinylogous acids Carboxylic acid hydrazides Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Salicylamide - Salicylic acid or derivatives - Anilide - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzoyl - N-arylamide - 1,3-dichlorobenzene - O-cresol - Halobenzene - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid hydrazide - Carboxamide group - Secondary carboxylic acid amide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available