sodium 3-cyano-3,4-bis(4-fluorophenyl)-2,4-dihydropyrrole-5-carboxylate

Systemtic Name: sodium 3-cyano-3,4-bis(4-fluorophenyl)-2,4-dihydropyrrole-5-carboxylate Openeye Name: sodium 3-cyano-3,4-bis(4-fluorophenyl)-2,4-dihydropyrrole-5-carboxylate CAS Name: sodium 3-cyano-3,4-bis(4-fluorophenyl)-2,4-dihydropyrrole-5-carboxylate IUPAC Name: sodium 3-cyano-3,4-bis(4-fluorophenyl)-2,4-dihydropyrrole-5-carboxylate Traditional Name: sodium 4-cyano-3,4-bis(4-fluorophenyl)-1-pyrroline-2-carboxylate Formula: C18H11F2N2NaO2 MolecularWeight: 348.278716

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=N1)C(=O)[O-])C2=CC=C(C=C2)F)(C#N)C3=CC=C(C=C3)F.[Na+]

Isomeric SMILES

C1C(C(C(=N1)C(=O)[O-])C2=CC=C(C=C2)F)(C#N)C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C18H12F2N2O2.Na/c19-13-5-1-11(2-6-13)15-16(17(23)24)22-10-18(15,9-21)12-3-7-14(20)8-4-12;/h1-8,15H,10H2,(H,23,24);/q;+1/p-1