Compound Identification
SMILES
CC(SCCN(C)C)C1=C(ON(C1=O)C1=C(C=C(C)C=C1)[N+]([O-])=O)C(C)(C)C
InChIKey
InChIKey=IMPOWBZVAWRHBE-UHFFFAOYSA-N
Formula
C20H29N3O4S
Mass
407.53
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
Nitrotoluenes Nitroaromatic compounds Heteroaromatic compounds Isoxazoles Trialkylamines Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Toluene - Azole - Isoxazole - Heteroaromatic compound - Lactam - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Oxacycle - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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