Compound Identification
SMILES
O.CC1=NC=C(N1CCOC(=O)NC(NC1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl)[N+]([O-])=O
InChIKey
InChIKey=LAUQSXDHRASAIB-UHFFFAOYSA-N
Formula
C15H17Cl4N5O5
Mass
489.13
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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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
1,2,5-trisubstituted imidazoles Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Chlorobenzenes Aryl chlorides N-substituted imidazoles Carbamate esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Alkyl chlorides Organic zwitterions Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Phenylalkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Organic nitro compound - C-nitro compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Amine - Alkyl halide - Organic zwitterion - 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