3-(furan-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: 3-(furan-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C20H15N3O4/c24-18(15-6-3-9-27-15)16-17(14-5-2-8-22-11-14)23(20(26)19(16)25)12-13-4-1-7-21-10-13/h1-11,17,25H,12H2