2-(3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-pyridin-1-ium-3-yl-2H-pyrrol-1-yl)ethanenitrile

Systemtic Name: 2-(3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-pyridin-1-ium-3-yl-2H-pyrrol-1-yl)ethanenitrile Openeye Name: 2-(3-acetyl-4-hydroxy-5-oxo-2-pyridin-1-ium-3-yl-2H-pyrrol-1-yl)acetonitrile CAS Name: 2-[3-acetyl-4-hydroxy-5-oxo-2-(3-pyridin-1-iumyl)-2H-pyrrol-1-yl]acetonitrile IUPAC Name: 2-(3-acetyl-4-hydroxy-5-oxo-2-pyridin-1-ium-3-yl-2H-pyrrol-1-yl)acetonitrile Traditional Name: 2-(4-acetyl-3-hydroxy-2-keto-5-pyridin-1-ium-3-yl-3-pyrrolin-1-yl)acetonitrile Formula: C13H12N3O3+ MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=C[NH+]=CC=C2)CC#N)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=C[NH+]=CC=C2)CC#N)O

InChI

InChI=1S/C13H11N3O3/c1-8(17)10-11(9-3-2-5-15-7-9)16(6-4-14)13(19)12(10)18/h2-3,5,7,11,18H,6H2,1H3/p+1