Compound Identification
SMILES
COC(=O)C1=NC2=NN=C(NC(=O)NC3=CC=C(Cl)C=C3)N2C(=C1)C1=CC=CO1
InChIKey
InChIKey=AVMFFGKJOBPVAX-UHFFFAOYSA-N
Formula
C18H13ClN6O4
Mass
412.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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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
Triazolopyrimidines Pyrimidinecarboxylic acids Chlorobenzenes Aryl chlorides Triazoles Furans Heteroaromatic compounds Methyl esters Ureas Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Chlorobenzene - Halobenzene - Aryl halide - Pyrimidine - Aryl chloride - Heteroaromatic compound - Methyl ester - Azole - Furan - 1,2,4-triazole - Triazole - Urea - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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