Compound Identification
SMILES
OS(=O)(=O)C1CC(=O)N(OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+]([O-])=O)C1=O
InChIKey
InChIKey=UPNUQQDXHCUWSG-UHFFFAOYSA-N
Formula
C16H18N6O9S
Mass
470.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Aniline and substituted anilines Nitroaromatic compounds Phenylazides Phenylalkylamines Secondary alkylarylamines Pyrrolidine-2-ones Alkanesulfonic acids Sulfonyls Dicarboximides Organosulfonic acids Lactams Amino acids and derivatives Azo imides Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylazide - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - 2-pyrrolidone - Pyrrolidone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Pyrrolidine - Dicarboximide - Azo imide - Amino acid or derivatives - Azo compound - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available