Compound Identification
SMILES
CCOC\C(=N/O)C(C)(C)NCC(CNC(C)(C)C(\C)=N/O)CC(O)CN1C=CN=C1[N+]([O-])=O
InChIKey
InChIKey=WKLWALWTGNJVCA-VTRNKYNFSA-N
Formula
C21H39N7O6
Mass
485.586
Taxonomic Classification
Taxonomy Tree
-
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 Ketoximes Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - N-substituted imidazole - Azole - Imidazole - Ketoxime - Heteroaromatic compound - Secondary alcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxoazanium - Oxime - Azacycle - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Amine - Organic zwitterion - Organic oxygen compound - Organic salt - Organic oxide - 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