Compound Identification
SMILES
NC1=C(C(N[C@@H]2O[C@H](CO)C(=O)[C@H]2O)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=MMFUTEMLQCJIRK-WCSIQHINSA-N
Formula
C9H11N5O6
Mass
285.216
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
Aminopyrimidines and derivatives Furanones Imidolactams Heteroaromatic compounds Oxolanes Secondary alcohols Cyclic ketones Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Primary amines Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aminopyrimidine - 3-furanone - Pyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Ketone - Secondary alcohol - Cyclic ketone - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Primary amine - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - 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