Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CCCCC1=CNC(NCCSCC2=C(C)NC=N2)=C1[N+]([O-])=O
InChIKey
InChIKey=KYARXRLXUWJZKC-WLHGVMLRSA-N
Formula
C19H27N5O6S
Mass
453.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
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
Unsaturated fatty acids Dicarboxylic acids and derivatives Substituted pyrroles Heteroaromatic compounds Imidazoles Azacyclic compounds Carboxylic acids Dialkylthioethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Amines Organic salts
Molecular Framework
Not available
Substituents
Nitroaromatic compound - Dicarboxylic acid or derivatives - Substituted pyrrole - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Imidazole - Pyrrole - Azole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxoazanium - Thioether - Organoheterocyclic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic 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