2-[1,4-diethoxy-1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-butan-2-yl]-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-[1,4-diethoxy-1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-butan-2-yl]-3-oxidanylidene-inden-1-olate Openeye Name: 2-(3-ethoxy-1-ethoxycarbonyl-3-oxo-2-pyridin-1-ium-1-yl-propyl)-3-oxo-inden-1-olate CAS Name: 2-[1,4-diethoxy-1,4-dioxo-3-(1-pyridin-1-iumyl)butan-2-yl]-3-oxo-1-indenolate IUPAC Name: 2-(1,4-diethoxy-1,4-dioxo-3-pyridin-1-ium-1-ylbutan-2-yl)-3-oxoinden-1-olate Traditional Name: 2-(1-carbethoxy-3-ethoxy-3-keto-2-pyridin-1-ium-1-yl-propyl)-3-keto-inden-1-olate Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C2=CC=CC=C2C1=O)[O-])C(C(=O)OCC)[N+]3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=C(C2=CC=CC=C2C1=O)[O-])C(C(=O)OCC)[N+]3=CC=CC=C3

InChI

InChI=1S/C22H21NO6/c1-3-28-21(26)16(17-19(24)14-10-6-7-11-15(14)20(17)25)18(22(27)29-4-2)23-12-8-5-9-13-23/h5-13,16,18H,3-4H2,1-2H3