Compound Identification
SMILES
[Cl-].[Cl-].[Cl-].OC(C[NH2+]CCC[NH2+]CCC[NH2+]CC(O)CN1C=CN=C1[N+]([O-])=O)CN1C=CN=C1[N+]([O-])=O
InChIKey
InChIKey=XGILYGADOLBZGC-UHFFFAOYSA-N
Formula
C18H34Cl3N9O6
Mass
578.88
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 Quaternary ammonium salts Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - N-substituted imidazole - Azole - Imidazole - Quaternary ammonium salt - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Amine - Organic chloride 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