Compound Identification
SMILES
CN1C(=O)N(C)C(=O)C(=CC2=CC=C(O2)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=DSDUVDFDSVFWKE-UHFFFAOYSA-N
Formula
C17H12ClN3O6
Mass
389.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Chlorobenzenes N-acyl ureas Aryl chlorides Diazinanes Heteroaromatic compounds Furans Dicarboximides Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - N-acyl urea - Ureide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Heteroaromatic compound - Dicarboximide - Furan - Organic nitro compound - C-nitro compound - Carbonic acid derivative - Urea - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available