Compound Identification
SMILES
CC1=NC=C(N1CCN1C=C(CN2CCN(CC2)C(=O)C2=CC=CO2)N=N1)[N+]([O-])=O
InChIKey
InChIKey=KDXHWEZJNHCMBN-UHFFFAOYSA-N
Formula
C18H22N8O4
Mass
414.426
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
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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 2-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds N-alkylpiperazines Aralkylamines N-substituted imidazoles Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - 1,2,5-trisubstituted-imidazole - Furoic acid or derivatives - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - N-substituted imidazole - Piperazine - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,2,3-triazole - Amino acid or derivatives - Carboxamide group - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic salt - 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