Compound Identification
SMILES
CC1=C(C=NN1C1=CC=CC=C1)C(=O)NC(=O)NC1=C(C=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=XEMDLBOALRONJA-UHFFFAOYSA-N
Formula
C18H14ClN5O4
Mass
399.79
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylureas
- Level 5 N-acyl-phenylureas
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Subclass
N-phenylureas
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylureas
Alternative Parents
Phenylpyrazoles Nitrobenzenes Pyrazole-4-carboxamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic zwitterions Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylurea - Phenylpyrazole - Nitrobenzene - Nitroaromatic compound - Pyrazole-4-carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Urea - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Carbonyl group - Organopnictogen compound - Organic zwitterion - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylureas. These are urea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available