Compound Identification
SMILES
Cl.OC(CN1CCC(=CC1)C1=NNC(=O)CS1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=OBEHINDRUFNQHO-UHFFFAOYSA-N
Formula
C16H19ClN4O4S
Mass
398.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Nitroaromatic compounds Aralkylamines Hydropyridines Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Organic zwitterions Aromatic alcohols Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aralkylamine - Hydropyridine - Tertiary amine - Organic nitro compound - C-nitro compound - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alcohol - 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