N-(3-chloranyl-4-cyano-phenyl)-2-(1-oxidanidylpyridin-1-ium-3-yl)-2-oxidanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(1-oxidanidylpyridin-1-ium-3-yl)-2-oxidanyl-propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-2-(1-oxidopyridin-1-ium-3-yl)propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(1-oxido-3-pyridin-1-iumyl)propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(1-oxidopyridin-1-ium-3-yl)propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-2-(1-oxidopyridin-1-ium-3-yl)propionamide Formula: C15H12ClN3O3 MolecularWeight: 317.72708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[N+](=CC=C1)[O-])(C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

Isomeric SMILES

CC(C1=C[N+](=CC=C1)[O-])(C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

InChI

InChI=1S/C15H12ClN3O3/c1-15(21,11-3-2-6-19(22)9-11)14(20)18-12-5-4-10(8-17)13(16)7-12/h2-7,9,21H,1H3,(H,18,20)