Compound Identification
SMILES
CC1=CC2=NC(=C(NC(C)(C)CC(C)(C)C)N2C=C1)C1=CC=CC=C1OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DJOKVIPDLLKWGF-UHFFFAOYSA-N
Formula
C28H32N4O5S
Mass
536.65
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
p-Bromobenzenesulfonates Phenylimidazoles Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Imidazo[1,2-a]pyridines Imidazopyridines Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Methylpyridines Aminoimidazoles Organosulfonic acid esters N-substituted imidazoles Sulfonyls Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Amines Organic salts Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - 4-phenylimidazole - 5-phenylimidazole - Benzenesulfonate ester - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Imidazo[1,2-a]pyridine - Imidazopyridine - Phenoxy compound - Nitroaromatic compound - Methylpyridine - Aminoimidazole - N-substituted imidazole - Organosulfonic acid ester - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors
Not available