Compound Identification
SMILES
CCN1C(COC2=CC=CC=C2C)=NN=C1SCC(=O)NC1=C(C)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LMGVBMGEVIWZDG-UHFFFAOYSA-N
Formula
C21H23N5O4S
Mass
441.51
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
Anilides Nitrotoluenes N-arylamides Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitrotoluene - Phenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Alkyl aryl ether - Alkylarylthioether - Toluene - Heteroaromatic compound - Azole - 1,2,4-triazole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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