Compound Identification
SMILES
CCN(C(=O)CN1C(=O)C2=CC=CC3=CC(=CC(C1=O)=C23)[N+]([O-])=O)S(=O)(=O)C1=C(Cl)N(C)N=C1C
InChIKey
InChIKey=QUBKJUDBCDERNJ-UHFFFAOYSA-N
Formula
C21H18ClN5O7S
Mass
519.91
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
Isoquinolones and derivatives Alpha amino acids and derivatives Nitroaromatic compounds Aryl chlorides N-substituted carboxylic acid imides Pyrazoles Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitronaphthalene - Isoquinolone - Alpha-amino acid or derivatives - Nitroaromatic compound - Aryl chloride - Aryl halide - Carboxylic acid imide, n-substituted - Azole - Carboxylic acid imide - Heteroaromatic compound - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organohalogen compound - Organic salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - 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