Compound Identification
SMILES
OC(=O)C(O)=O.OC(=O)C(O)=O.CCN(CC)C1CCN(C1)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=IIAUHRSOPVUXJA-UHFFFAOYSA-N
Formula
C25H31N3O9
Mass
517.535
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
Pyrrolidinecarboxamides Dicarboxylic acids and derivatives Ureas Trialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
N-phenylurea - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Pyrrolidine - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic 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