Compound Identification
SMILES
CCCN(CCCCCCNCCC1=CC2=C(NC(=O)S2)C=C1)C1CCC2=CC(OC)=C(C=C2C1)[N+]([O-])=O
InChIKey
InChIKey=QRVLLSMKLLYJMK-UHFFFAOYSA-N
Formula
C29H40N4O4S
Mass
540.72
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
Tetralins Benzothiazoles Methoxyanilines Phenethylamines Anisoles Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Thiazoles Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitronaphthalene - Tetralin - 1,3-benzothiazole - Phenethylamine - Methoxyaniline - Anisole - Phenol ether - Nitroaromatic compound - Aralkylamine - Alkyl aryl ether - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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