Compound Identification
SMILES
CC1=C(OC(=N1)C1=CC=[N+](CCCS(O)(=O)=O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=IWRVWHVWUOVJPW-UHFFFAOYSA-O
Formula
C18H19N2O4S
Mass
359.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 Phenyl-1,3-oxazoles
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Subclass
Oxazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
2,4,5-trisubstituted oxazoles Pyridinium derivatives Benzene and substituted derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,3-oxazole - 2,4,5-trisubstituted 1,3-oxazole - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
External Descriptors
Not available