Compound Identification
SMILES
[O-][N+](=O)c1ccc(s1)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
InChIKey
InChIKey=IORZBTPKYNATQL-ZZXKWVIFSA-N
Formula
C13H8N2O5S
Mass
304.28
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
2-nitrothiophenes Styrenes Nitroaromatic compounds Aryl ketones 2,5-disubstituted thiophenes Heteroaromatic compounds Enones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Nitrothiophene - Nitrobenzene - Nitroaromatic compound - Styrene - Aryl ketone - 2,5-disubstituted thiophene - Acryloyl-group - Enone - Thiophene - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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