Compound Identification
SMILES
[Na+].CC1=NN(C(=O)C1)C1=CC=C(NC(=O)NC2=CC=C(C=C2)N2N=C(C)C(N\N=C3/C(=O)C=C(C4=C3C=CC(=C4)[N+]([O-])=O)S([O-])(=O)=O)C2=O)C=C1
InChIKey
InChIKey=FACUEXMDOXIQSS-KUZZAKPFSA-M
Formula
C31H24N9NaO9S
Mass
721.64
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 N-phenylureas Nitroaromatic compounds Pyrazolones Sulfonyls Organosulfonic acids Ureas Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Organic sodium salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitronaphthalene - Alpha-amino acid or derivatives - N-phenylurea - Nitroaromatic compound - Monocyclic benzene moiety - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - Ketone - C-nitro compound - Urea - Cyclic ketone - Organic 1,3-dipolar compound - Organic alkali metal salt - Organoheterocyclic compound - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic sodium salt - Organic cation - 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