Structure Information
Structure

Compound Identification

SMILES

CC1=NC=C(N1CC(O)COC1=CC=CC=C1Cl)[N+]([O-])=O

InChIKey

InChIKey=CDFROTFNDVMNHA-UHFFFAOYSA-N

Formula

C13H14ClN3O4

Mass

311.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Nitroimidazoles

Alternative Parents

Phenoxy compounds Phenol ethers 1,2,5-trisubstituted imidazoles Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,2,5-trisubstituted-imidazole - Phenoxy compound - Nitroaromatic compound - Nitroimidazole - Phenol ether - Trisubstituted imidazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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

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