Compound Identification
SMILES
CN1C=NC(=C1[C@@H](Cl)C(=O)OC(C)(C)C)[N+]([O-])=O
InChIKey
InChIKey=WSHVVBHPPSBQBH-ZCFIWIBFSA-N
Formula
C10H14ClN3O4
Mass
275.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
-
Level 5
Substituted imidazoles
- Level 6 Nitroimidazoles
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Level 5
Substituted imidazoles
-
Subclass
Imidazoles
-
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
Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Imidolactams N-substituted imidazoles Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic salts Alkyl chlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Nitroimidazole - N-substituted imidazole - Imidolactam - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Alkyl chloride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic salt - 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