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

Systemtic Name: 1,3-benzodioxol-5-yl-[(2S)-4,5-bis(oxidanylidene)-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Openeye Name: 1,3-benzodioxol-5-yl-[(2S)-4,5-dioxo-2-(2-pyridyl)-1-(3-pyridylmethyl)pyrrolidin-3-ylidene]methanolate CAS Name: 1,3-benzodioxol-5-yl-[(2S)-4,5-dioxo-2-(2-pyridinyl)-1-(3-pyridinylmethyl)-3-pyrrolidinylidene]methanolate IUPAC Name: 1,3-benzodioxol-5-yl-[(2S)-4,5-dioxo-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Traditional Name: 1,3-benzodioxol-5-yl-[(2S)-4,5-diketo-2-(2-pyridyl)-1-(3-pyridylmethyl)pyrrolidin-3-ylidene]methanolate Formula: C23H16N3O5- MolecularWeight: 414.39024

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CC=N5)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=C3[C@H](N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CC=N5)[O-]

InChI

InChI=1S/C23H17N3O5/c27-21(15-6-7-17-18(10-15)31-13-30-17)19-20(16-5-1-2-9-25-16)26(23(29)22(19)28)12-14-4-3-8-24-11-14/h1-11,20,27H,12-13H2/p-1/t20-/m1/s1