Compound Identification
SMILES
COC(=O)C1=C(C)NC2=C(C1C1=C(Cl)C=CC(=C1)[N+]([O-])=O)S(=O)(=O)CCS(=O)(=O)C2
InChIKey
InChIKey=YFBFLYUYPQVTNZ-UHFFFAOYSA-N
Formula
C17H17ClN2O8S2
Mass
476.9
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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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 Chlorobenzenes Dihydropyridines Aryl chlorides Vinylogous amides Sulfones Enoate esters Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Enamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Halobenzene - Dihydropyridine - Chlorobenzene - Aryl chloride - Aryl halide - Sulfone - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Secondary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Enamine - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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