3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-acetyl-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-acetyl-5-(4-hydroxy-3-methoxy-phenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CC3=C[NH+]=CC=C3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CC3=C[NH+]=CC=C3)[O-]

InChI

InChI=1S/C19H18N2O5/c1-11(22)16-17(13-5-6-14(23)15(8-13)26-2)21(19(25)18(16)24)10-12-4-3-7-20-9-12/h3-9,17,23-24H,10H2,1-2H3