Compound Identification
SMILES
CC1=NC(=CN1C(=O)CCC(O)=O)[N+]([O-])=O
InChIKey
InChIKey=SDRFMZDYQQIXPG-UHFFFAOYSA-N
Formula
C8H9N3O5
Mass
227.176
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Nitroimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Nitroimidazoles
Alternative Parents
1,2,4-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Carbonylimidazoles N-acylimidazoles Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,4-trisubstituted-imidazole - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Nitroimidazole - Trisubstituted imidazole - N-acylimidazole - Imidazole-1-carbonyl group - N-substituted imidazole - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
External Descriptors
Not available