[(2S)-1-(2,2-dimethoxyethyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-1-(2,2-dimethoxyethyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-(2,2-dimethoxyethyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-(2,2-dimethoxyethyl)-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-(2,2-dimethoxyethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-(2,2-dimethoxyethyl)-4,5-diketo-2-(3-pyridyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CN=CC=C3)OC

Isomeric SMILES

COC(CN1[C@H](C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C20H20N2O5/c1-26-15(27-2)12-22-17(14-9-6-10-21-11-14)16(19(24)20(22)25)18(23)13-7-4-3-5-8-13/h3-11,15,17,23H,12H2,1-2H3/p-1/t17-/m0/s1