sodium (E)-2-azanyl-5-[2,4-bis(fluoranyl)phenyl]-5-phenyl-pent-4-enoate

Systemtic Name: sodium (E)-2-azanyl-5-[2,4-bis(fluoranyl)phenyl]-5-phenyl-pent-4-enoate Openeye Name: sodium (E)-2-amino-5-(2,4-difluorophenyl)-5-phenyl-pent-4-enoate CAS Name: sodium (E)-2-amino-5-(2,4-difluorophenyl)-5-phenyl-4-pentenoate IUPAC Name: sodium (E)-2-amino-5-(2,4-difluorophenyl)-5-phenylpent-4-enoate Traditional Name: sodium (E)-2-amino-5-(2,4-difluorophenyl)-5-phenyl-pent-4-enoate Formula: C17H14F2NNaO2 MolecularWeight: 325.285136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCC(C(=O)[O-])N)C2=C(C=C(C=C2)F)F.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CC(C(=O)[O-])N)/C2=C(C=C(C=C2)F)F.[Na+]

InChI

InChI=1S/C17H15F2NO2.Na/c18-12-6-7-14(15(19)10-12)13(8-9-16(20)17(21)22)11-4-2-1-3-5-11;/h1-8,10,16H,9,20H2,(H,21,22);/q;+1/p-1/b13-8+;