Compound Identification
SMILES
CCOC(=O)C1=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(C=C2)[N+]([O-])=O)SC(C(C)=O)=C1C
InChIKey
InChIKey=MROIFDSLBMGLLA-UHFFFAOYSA-N
Formula
C22H18N4O5S2
Mass
482.53
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 Aryl alkyl ketones Nitroaromatic compounds 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Enamines Nitriles Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Thiophene carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - 2-aminothiophene - Azole - Thiophene - Heteroaromatic compound - Thiazole - Vinylogous amide - Organic nitro compound - C-nitro compound - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Amine - Organic salt - Organic oxide - Organic zwitterion - Organic oxygen 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