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

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-4,5-dioxo-2-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-4,5-dioxo-2-(3-pyridinyl)-1-(3-pyridinylmethyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-4,5-dioxo-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-4,5-diketo-2-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C22H16N3O3- MolecularWeight: 370.38074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)[O-]

InChI

InChI=1S/C22H17N3O3/c26-20(16-7-2-1-3-8-16)18-19(17-9-5-11-24-13-17)25(22(28)21(18)27)14-15-6-4-10-23-12-15/h1-13,19,26H,14H2/p-1/t19-/m0/s1