(E)-but-2-enedioic acid; 1-(5-chloranyl-4-fluoranyl-1-benzofuran-7-yl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-chloranyl-4-fluoranyl-1-benzofuran-7-yl)piperazine Openeye Name: 1-(5-chloro-4-fluoro-benzofuran-7-yl)piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-chloro-4-fluoro-7-benzofuranyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-chloro-4-fluoro-1-benzofuran-7-yl)piperazine Traditional Name: 1-(5-chloro-4-fluoro-benzofuran-7-yl)piperazine; fumaric acid Formula: C16H16ClFN2O5 MolecularWeight: 370.760043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C3=C2OC=C3)F)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C3=C2OC=C3)F)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12ClFN2O.C4H4O4/c13-9-7-10(16-4-2-15-3-5-16)12-8(11(9)14)1-6-17-12;5-3(6)1-2-4(7)8/h1,6-7,15H,2-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+