Compound Identification
SMILES
CC(=O)O[C@@H]1CC[C@@H](OC(C)=O)C2[C@H]3OC(C)(C)O[C@H]3C1NN2C(=O)NC1=CC=CC=C1
InChIKey
InChIKey=BSPQPDXNSVYRAI-TXDQSVJSSA-N
Formula
C22H29N3O7
Mass
447.488
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
Ketals Dicarboxylic acids and derivatives Diazinanes Semicarbazides 1,3-dioxolanes Organic carbonic acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Ketal - 1,2-diazinane - Dicarboxylic acid or derivatives - Meta-dioxolane - Semicarbazide - Carboxylic acid ester - Carbonic acid derivative - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - 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