Compound Identification
SMILES
COC(=O)[C@H](CCC1=C(C2=CC=CC=C2C=C1)[N+]([O-])=O)\C=N/O
InChIKey
InChIKey=XQWSJPCPBUEAOY-OMJMQIJPSA-N
Formula
C16H16N2O5
Mass
316.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Nitroaromatic compounds Fatty acid esters Methyl esters Aldoximes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-nitronaphthalene - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Aldoxime - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxime - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available