Compound Identification
SMILES
COC(=O)C1=C(C)C(C#N)=C(NC(=S)NC(=O)C2=CC=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=BYNAMRKBHUYNRY-UHFFFAOYSA-N
Formula
C20H14N4O6S2
Mass
470.47
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
Thiophene carboxylic acids and derivatives Furoic acid and derivatives Nitroaromatic compounds Heteroaromatic compounds Methyl esters Thioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Nitriles Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Furan - Thiophene - Methyl ester - Heteroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Cyanide - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - 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