bis[(5-fluoranylpyridin-3-yl)methyl] (E)-but-2-enedioate

Systemtic Name: bis[(5-fluoranylpyridin-3-yl)methyl] (E)-but-2-enedioate Openeye Name: bis[(5-fluoro-3-pyridyl)methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[(5-fluoro-3-pyridinyl)methyl] ester IUPAC Name: bis[(5-fluoropyridin-3-yl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[(5-fluoro-3-pyridyl)methyl] ester Formula: C16H12F2N2O4 MolecularWeight: 334.274286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1F)COC(=O)C=CC(=O)OCC2=CC(=CN=C2)F

Isomeric SMILES

C1=C(C=NC=C1F)COC(=O)/C=C/C(=O)OCC2=CC(=CN=C2)F

InChI

InChI=1S/C16H12F2N2O4/c17-13-3-11(5-19-7-13)9-23-15(21)1-2-16(22)24-10-12-4-14(18)8-20-6-12/h1-8H,9-10H2/b2-1+