Compound Identification
SMILES
NC1=CC(=C(NCCCCCC(=O)ON2C(=O)C[C@@H](C2=O)S(O)(=O)=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NIBWILZKWXMCMJ-ZDUSSCGKSA-N
Formula
C16H20N4O9S
Mass
444.42
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 Phenylalkylamines Secondary alkylarylamines Pyrrolidine-2-ones Alkanesulfonic acids Sulfonyls Dicarboximides Organosulfonic acids Lactams Amino acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - 2-pyrrolidone - Pyrrolidone - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid or derivatives - Pyrrolidine - Dicarboximide - Organic sulfonic acid or derivatives - Lactam - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Primary amine - Amine - Organic salt - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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