Compound Identification
SMILES
CCOC(=O)C1=C(NC=C(C#N)C2=NC(=CS2)C2=CC(=CC=C2)[N+]([O-])=O)SC(C(=O)OC)=C1C
InChIKey
InChIKey=BOUXSOLQZWKZKW-UHFFFAOYSA-N
Formula
C22H18N4O6S2
Mass
498.53
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
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Methyl esters Nitriles Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Organic oxoazanium compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic 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 - Thiazole - Heteroaromatic compound - Thiophene - Methyl ester - Vinylogous amide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Organic zwitterion - Cyanide - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - 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