Compound Identification
SMILES
COC(=O)\C=C(/C)NC1=C(SSC2=C(N)C(C)=CC(=C2)[N+]([O-])=O)C=C(C=C1C)[N+]([O-])=O
InChIKey
InChIKey=PQLKUOOSDVHAHT-KPKJPENVSA-N
Formula
C19H20N4O6S2
Mass
464.51
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
Nitrotoluenes Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds Fatty acid esters Vinylogous amides Enoate esters Methyl esters Organic disulfides Amino acids and derivatives Monocarboxylic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Enamines Organic oxoazanium compounds Organic zwitterions Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Aminotoluene - Fatty acid ester - Toluene - Fatty acyl - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic disulfide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic oxide - Amine - Organic zwitterion - Organic salt - Carbonyl group - Aromatic homomonocyclic 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