Compound Identification
SMILES
[Cl-].CCOC(=O)C1=C(C)NC(CSC(N)=[NH2+])=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC
InChIKey
InChIKey=HIRXWBAWRVIHJR-UHFFFAOYSA-N
Formula
C20H25ClN4O6S
Mass
484.95
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
Nitroaromatic compounds Dihydropyridines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboximidamides Dialkylamines Enamines Organic oxides Hydrocarbon derivatives Organic chloride salts Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Azacycle - Organic oxoazanium - Carboximidamide - Sulfenyl compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Amine - Organic cation - 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