Compound Identification
SMILES
CC(=NO)C(C)(C)NCCONC(C)(C)C(COCC(O)CN1C=CN=C1[N+]([O-])=O)=NO
InChIKey
InChIKey=MGYQVGBDSFFYOM-UHFFFAOYSA-N
Formula
C18H33N7O7
Mass
459.504
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 Ketoximes Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds N-organohydroxylamines 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 - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxoazanium - Oxime - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - N-organohydroxylamine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organic oxide - Amine - 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