Compound Identification
SMILES
CC1(OC(=O)C(=CC2=CC=C(S2)[N+]([O-])=O)C(=O)O1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SSBCGWAIELJLRY-UHFFFAOYSA-N
Formula
C16H10ClNO6S
Mass
379.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 2-nitrothiophenes
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Subclass
Nitrothiophenes
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Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Nitrothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
2-nitrothiophenes
Alternative Parents
Nitroaromatic compounds 2,5-disubstituted thiophenes Chlorobenzenes Ketals 1,3-dioxanes Aryl chlorides Dicarboxylic acids and derivatives Enoate esters Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Nitroaromatic compound - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Ketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Meta-dioxane - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - Lactone - C-nitro compound - Oxacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Acetal - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organopnictogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
External Descriptors
Not available