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

Systemtic Name: 2-[azanyl-(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)methylidene]propanedioate Openeye Name: 2-[amino-[2-oxo-5-(4-pyridyl)-1H-pyridin-3-yl]methylene]propanedioate CAS Name: 2-[amino-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)methylidene]propanedioate IUPAC Name: 2-[amino-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)methylidene]propanedioate Traditional Name: 2-[amino-[2-keto-5-(4-pyridyl)-1H-pyridin-3-yl]methylene]malonate Formula: C14H9N3O5-2 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CNC(=O)C(=C2)C(=C(C(=O)[O-])C(=O)[O-])N

Isomeric SMILES

C1=CN=CC=C1C2=CNC(=O)C(=C2)C(=C(C(=O)[O-])C(=O)[O-])N

InChI

InChI=1S/C14H11N3O5/c15-11(10(13(19)20)14(21)22)9-5-8(6-17-12(9)18)7-1-3-16-4-2-7/h1-6H,15H2,(H,17,18)(H,19,20)(H,21,22)/p-2