sodium 2-[3-cyano-4-(diethoxyphosphorylmethyl)-6-oxidanylidene-piperidin-3-id-2-ylidene]propanedinitrile

Systemtic Name: sodium 2-[3-cyano-4-(diethoxyphosphorylmethyl)-6-oxidanylidene-piperidin-3-id-2-ylidene]propanedinitrile Openeye Name: sodium 2-[3-cyano-4-(diethoxyphosphorylmethyl)-6-oxo-piperidin-3-id-2-ylidene]propanedinitrile CAS Name: sodium 2-[3-cyano-4-(diethoxyphosphorylmethyl)-6-oxo-2-piperidin-3-idylidene]propanedinitrile IUPAC Name: sodium 2-[3-cyano-4-(diethoxyphosphorylmethyl)-6-oxopiperidin-3-id-2-ylidene]propanedinitrile Traditional Name: sodium 2-[3-cyano-4-(diethoxyphosphorylmethyl)-6-keto-piperidin-3-id-2-ylidene]malononitrile Formula: C14H16N4NaO4P MolecularWeight: 358.264771

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1CC(=O)NC(=C(C#N)C#N)[C-]1C#N)OCC.[Na+]

Isomeric SMILES

CCOP(=O)(CC1CC(=O)NC(=C(C#N)C#N)[C-]1C#N)OCC.[Na+]

InChI

InChI=1S/C14H16N4O4P.Na/c1-3-21-23(20,22-4-2)9-10-5-13(19)18-14(12(10)8-17)11(6-15)7-16;/h10H,3-5,9H2,1-2H3,(H,18,19);/q-1;+1