Compound Identification
SMILES
OC(C[131I])C(O)CN1C=CN=C1[N+]([O-])=O
InChIKey
InChIKey=KUKMENZMYIDZMK-KPKJHWAZSA-N
Formula
C7H10IN3O4
Mass
331.08
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
N-substituted imidazoles N-hydroxyguanidines Heteroaromatic compounds Secondary alcohols Iodohydrins Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organoiodides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Alkyl iodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - N-hydroxyguanidine - N-substituted imidazole - Heteroaromatic compound - Azole - Secondary alcohol - Iodohydrin - Halohydrin - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen compound - Alkyl iodide - Alkyl halide - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available