Compound Identification
SMILES
CCOC1=C(C=C(C=C2C(=O)NC(=O)N(C2=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1)C(O)=O
InChIKey
InChIKey=MSNCWUSAXLYJFD-UHFFFAOYSA-N
Formula
C20H15N3O8
Mass
425.353
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
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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
Benzoic acids Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers N-acyl ureas Diazinanes Dicarboximides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Barbiturate - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ureide - N-acyl urea - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Dicarboximide - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organooxygen compound - Organonitrogen 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