Compound Identification
SMILES
N[C@]1(C[C@H](NC(=O)NC2=CC(Cl)=CC=C2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
InChIKey
InChIKey=XKHKLXQXQQXIDI-DMZJWBPISA-N
Formula
C15H16ClN3O5
Mass
353.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
L-alpha-amino acids D-alpha-amino acids Chlorobenzenes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids Aryl chlorides Ureas Amino acids Carboxylic acids Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylurea - L-alpha-amino acid - D-alpha-amino acid - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Aryl chloride - Aryl halide - Amino acid - Amino acid or derivatives - Urea - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available