benzenecarbonitrile; 2-oxidanylidene-2-[(2-pyridin-4-ylpyridin-3-yl)methoxy]ethanoate

Systemtic Name: benzenecarbonitrile; 2-oxidanylidene-2-[(2-pyridin-4-ylpyridin-3-yl)methoxy]ethanoate Openeye Name: benzonitrile; 2-oxo-2-[[2-(4-pyridyl)-3-pyridyl]methoxy]acetate CAS Name: benzonitrile; 2-oxo-2-[(2-pyridin-4-yl-3-pyridinyl)methoxy]acetate IUPAC Name: benzonitrile; 2-oxo-2-[(2-pyridin-4-ylpyridin-3-yl)methoxy]acetate Traditional Name: benzonitrile; 2-keto-2-[[2-(4-pyridyl)-3-pyridyl]methoxy]acetate Formula: C20H14N3O4- MolecularWeight: 360.34286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C1=CC(=C(N=C1)C2=CC=NC=C2)COC(=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#N.C1=CC(=C(N=C1)C2=CC=NC=C2)COC(=O)C(=O)[O-]

InChI

InChI=1S/C13H10N2O4.C7H5N/c16-12(17)13(18)19-8-10-2-1-5-15-11(10)9-3-6-14-7-4-9;8-6-7-4-2-1-3-5-7/h1-7H,8H2,(H,16,17);1-5H/p-1