(E)-but-2-enedioic acid; 1-(5-ethenoxypyridin-3-yl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-ethenoxypyridin-3-yl)piperazine Openeye Name: fumaric acid; 1-(5-vinyloxy-3-pyridyl)piperazine CAS Name: (E)-2-butenedioic acid; 1-(5-ethenoxy-3-pyridinyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-ethenoxypyridin-3-yl)piperazine Traditional Name: fumaric acid; 1-(5-vinyloxy-3-pyridyl)piperazine Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

C=COC1=CN=CC(=C1)N2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=COC1=CN=CC(=C1)N2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15N3O.C4H4O4/c1-2-15-11-7-10(8-13-9-11)14-5-3-12-4-6-14;5-3(6)1-2-4(7)8/h2,7-9,12H,1,3-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+