sodium bis(phenylmethyl) 2-cyanopropanedioate

Systemtic Name: sodium bis(phenylmethyl) 2-cyanopropanedioate Openeye Name: sodium dibenzyl 2-cyanopropanedioate CAS Name: sodium 2-cyanopropanedioic acid bis(phenylmethyl) ester IUPAC Name: sodium dibenzyl 2-cyanopropanedioate Traditional Name: sodium 2-cyanomalonic acid dibenzyl ester Formula: C18H14NNaO4 MolecularWeight: 331.29783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[C-](C#N)C(=O)OCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C-](C#N)C(=O)OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H14NO4.Na/c19-11-16(17(20)22-12-14-7-3-1-4-8-14)18(21)23-13-15-9-5-2-6-10-15;/h1-10H,12-13H2;/q-1;+1