Compound Identification
SMILES
OCCOCCN1C(C2=CC=CS2)C(=C(O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)C1=O
InChIKey
InChIKey=CNWRWSYGFPJVKK-UHFFFAOYSA-N
Formula
C19H18N2O7S
Mass
418.42
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 Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Vinylogous acids Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Enols Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Vinylogous acid - Carboxamide group - Ketone - Lactam - C-nitro compound - Organic nitro compound - Cyclic ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Enol - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Primary alcohol - Organic zwitterion - Organic oxygen compound - Organic oxide - 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