Compound Identification
SMILES
CN1CC[C@H]2[N@](CCO)[C@@]2(CN2C=CN=C2[N+]([O-])=O)C1
InChIKey
InChIKey=KTQHHGPLUYQWLA-SIVJFFJCSA-N
Formula
C12H19N5O3
Mass
281.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
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
-
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
1,4-diazepanes Piperidines N-substituted imidazoles Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Aziridines Azacyclic compounds Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - 1,4-diazepane - Diazepane - N-substituted imidazole - Piperidine - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Alkanolamine - Aziridine - Organic oxoazanium - Alcohol - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Primary alcohol - Organic zwitterion - Organic salt - Aromatic heteropolycyclic 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