(E)-but-2-enedioic acid; 5-[(5-fluoranyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-[(5-fluoranyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole Openeye Name: 5-[(5-fluorobenzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(5-fluoro-2-benzofuranyl)methyl]-4,5-dihydro-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole Traditional Name: 4-[(5-fluorobenzofuran-2-yl)methyl]-2-imidazoline; fumaric acid Formula: C16H15FN2O5 MolecularWeight: 334.299103

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC=N1)CC2=CC3=C(O2)C=CC(=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(NC=N1)CC2=CC3=C(O2)C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H11FN2O.C4H4O4/c13-9-1-2-12-8(3-9)4-11(16-12)5-10-6-14-7-15-10;5-3(6)1-2-4(7)8/h1-4,7,10H,5-6H2,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+