diethyl 2-[[(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[2-oxo-5-(4-pyridyl)-1H-pyridin-3-yl]amino]methylene]propanedioate CAS Name: 2-[[(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[2-keto-5-(4-pyridyl)-1H-pyridin-3-yl]amino]methylene]malonic acid diethyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=CNC1=O)C2=CC=NC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=CNC1=O)C2=CC=NC=C2)C(=O)OCC

InChI

InChI=1S/C18H19N3O5/c1-3-25-17(23)14(18(24)26-4-2)11-20-15-9-13(10-21-16(15)22)12-5-7-19-8-6-12/h5-11,20H,3-4H2,1-2H3,(H,21,22)