(E)-[1-(furan-2-ylmethyl)-4,5-bis(oxidanylidene)-2-pyridin-1-ium-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: (E)-[1-(furan-2-ylmethyl)-4,5-bis(oxidanylidene)-2-pyridin-1-ium-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[1-(2-furylmethyl)-4,5-dioxo-2-pyridin-1-ium-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: (E)-[1-(2-furanylmethyl)-4,5-dioxo-2-(3-pyridin-1-iumyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: (E)-[1-(furan-2-ylmethyl)-4,5-dioxo-2-pyridin-1-ium-3-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: (E)-[1-(2-furfuryl)-4,5-diketo-2-pyridin-1-ium-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=C[NH+]=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=CO3)C4=C[NH+]=CC=C4)/[O-]

InChI

InChI=1S/C21H16N2O4/c24-19(14-6-2-1-3-7-14)17-18(15-8-4-10-22-12-15)23(21(26)20(17)25)13-16-9-5-11-27-16/h1-12,18,24H,13H2/b19-17+