Compound Identification
SMILES
[O-][N+](=O)C1=CC(SSC2=C(NC(=O)C3CCC(=O)O3)C=CC(=C2)[N+]([O-])=O)=C(NC(=O)C2CCC(=O)O2)C=C1
InChIKey
InChIKey=RPINFTIRXCZPNV-UHFFFAOYSA-N
Formula
C22H18N4O10S2
Mass
562.52
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
Anilides N-arylamides Nitroaromatic compounds Dicarboxylic acids and derivatives Gamma butyrolactones Oxolanes Carboxylic acid esters Secondary carboxylic acid amides Organic disulfides Sulfenyl compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxolane - Carboxamide group - Carboxylic acid ester - Lactone - C-nitro compound - Organic disulfide - Secondary carboxylic acid amide - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic salt - 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