Compound Identification
SMILES
CC(C)(O)C(=O)\C=C\C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ZZHVMZIMSODGTH-VOTSOKGWSA-N
Formula
C12H13NO4
Mass
235.239
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
Styrenes Nitroaromatic compounds Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Styrene - Acyloin - Acryloyl-group - Alpha-hydroxy ketone - Enone - Tertiary alcohol - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic homomonocyclic 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