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

Systemtic Name: 3-ethanoyl-2-(4-hydroxyphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-acetyl-2-(4-hydroxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-acetyl-2-(4-hydroxyphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-acetyl-2-(4-hydroxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-acetyl-5-(4-hydroxyphenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-11(21)15-16(13-4-6-14(22)7-5-13)20(18(24)17(15)23)10-12-3-2-8-19-9-12/h2-9,16,22-23H,10H2,1H3