Compound Identification
SMILES
NC1=C(C(NCC2CCCO2)=NC(=N1)N1CCCC1)[N+]([O-])=O
InChIKey
InChIKey=MWZVOPRBIUGWRQ-UHFFFAOYSA-N
Formula
C13H20N6O3
Mass
308.342
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
Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Pyrrolidines Heteroaromatic compounds Oxolanes Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic salts Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Oxolane - Pyrrolidine - Heteroaromatic compound - Dialkyl ether - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - 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