Compound Identification
SMILES
COC(=O)C1=C(NC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)OC(C)(C)C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=APEJWPBLLUHSIY-UHFFFAOYSA-N
Formula
C21H20ClN3O6
Mass
445.86
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
Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous esters Vinylogous amides Dihydrofurans Enoate esters Methyl esters Ureas Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dihydrofuran - Methyl ester - Vinylogous ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic zwitterion - Organochloride - Organonitrogen compound - 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