Compound Identification
SMILES
COC(=O)C1=CC=C(CN2C(=O)NC(=CC3=CC(Cl)=CC(=C3O)[N+]([O-])=O)C2=O)O1
InChIKey
InChIKey=NUUQAMWOARXSDS-UHFFFAOYSA-N
Formula
C17H12ClN3O8
Mass
421.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azolidines
-
Subclass
Imidazolidines
-
Level 5
Imidazolidinones
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Level 6
Imidazolidinediones
- Level 7 Hydantoins
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Level 6
Imidazolidinediones
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Level 5
Imidazolidinones
-
Subclass
Imidazolidines
-
Class
Azolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Imidazolidines
Intermediate Tree Nodes
Imidazolidinones - Imidazolidinediones
Direct Parent
Hydantoins
Alternative Parents
Alpha amino acids and derivatives Nitrophenols Furoic acid esters Nitrobenzenes P-chlorophenols Nitroaromatic compounds Chlorobenzenes N-acyl ureas Aryl chlorides Dicarboximides Heteroaromatic compounds Methyl esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic zwitterions Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydantoin - Alpha-amino acid or derivatives - Nitrophenol - Furoic acid ester - Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - 4-chlorophenol - 4-halophenol - N-acyl urea - Phenol - Ureide - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Furan - Dicarboximide - Carboxylic acid ester - Urea - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
External Descriptors
Not available