Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(N2C(=O)[C@@H]3C4CCC(C4)N3C2=S)C2=CC=CC=C12
InChIKey
InChIKey=NQFJOZMQHMMRPO-PRDDCLIZSA-N
Formula
C18H15N3O3S
Mass
353.4
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
Alpha amino acids and derivatives Nitroaromatic compounds Piperidines Imidazolidinones Pyrrolidines Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-nitronaphthalene - Alpha-amino acid or derivatives - Nitroaromatic compound - Imidazolidinone - Piperidine - Imidazolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Thiourea - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Aromatic heteropolycyclic 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