Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(CN\C=C(\C(=S)N2CCOCC2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NCTJOTJUHBTAJK-XDJHFCHBSA-N
Formula
C20H21N3O3S
Mass
383.47
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
Benzylamines Styrenes Phenylmethylamines Nitroaromatic compounds Aralkylamines Morpholines Thioamides Thiocarboxylic acid amides Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Thiocarbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Styrene - Aralkylamine - Morpholine - Oxazinane - Thioamide - Organic nitro compound - C-nitro compound - Oxacycle - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Thiocarboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organic oxide - Amine - Hydrocarbon derivative - Organic salt - Thiocarbonyl group - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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