Compound Identification
SMILES
COC(=O)C(=CC1=CC=C(S1)[N+]([O-])=O)C(C)=O
InChIKey
InChIKey=XWGZPFWMQIEBFO-UHFFFAOYSA-N
Formula
C10H9NO5S
Mass
255.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 2-nitrothiophenes
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Subclass
Nitrothiophenes
-
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 Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enoate esters Enones Methyl esters Heteroaromatic compounds Ketones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Nitroaromatic compound - Beta-keto acid - 2,5-disubstituted thiophene - Fatty acid ester - Keto acid - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Acryloyl-group - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Enone - Ketone - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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