Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)C=CC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=XGYVDKLUJYAMBL-UHFFFAOYSA-N
Formula
C13H8N2O5S
Mass
304.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
2-nitrothiophenes Nitroaromatic compounds Benzoyl derivatives Aryl ketones 2,5-disubstituted thiophenes Heteroaromatic compounds Enones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Nitrothiophene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - 2,5-disubstituted thiophene - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Ketone - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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