Compound Identification
SMILES
CCOC(=O)C1=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(C=C2)[N+]([O-])=O)SC2=C1CCC(C2)C(C)(C)C
InChIKey
InChIKey=PLIKKJJWYMHJTQ-UHFFFAOYSA-N
Formula
C27H28N4O4S2
Mass
536.67
Taxonomic Classification
Taxonomy Tree
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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
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Nitriles Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - 2-aminothiophene - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Thiophene - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Amine - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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