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

Systemtic Name: sodium 2-[3-cyano-4-(4-methoxyphenyl)-6-oxidanylidene-piperidin-3-id-2-ylidene]propanedinitrile Openeye Name: sodium 2-[3-cyano-4-(4-methoxyphenyl)-6-oxo-piperidin-3-id-2-ylidene]propanedinitrile CAS Name: sodium 2-[3-cyano-4-(4-methoxyphenyl)-6-oxo-2-piperidin-3-idylidene]propanedinitrile IUPAC Name: sodium 2-[3-cyano-4-(4-methoxyphenyl)-6-oxopiperidin-3-id-2-ylidene]propanedinitrile Traditional Name: sodium 2-[3-cyano-6-keto-4-(4-methoxyphenyl)piperidin-3-id-2-ylidene]malononitrile Formula: C16H11N4NaO2 MolecularWeight: 314.27391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)NC(=C(C#N)C#N)[C-]2C#N.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)NC(=C(C#N)C#N)[C-]2C#N.[Na+]

InChI

InChI=1S/C16H11N4O2.Na/c1-22-12-4-2-10(3-5-12)13-6-15(21)20-16(14(13)9-19)11(7-17)8-18;/h2-5,13H,6H2,1H3,(H,20,21);/q-1;+1