1-(6-bromanyl-5-ethenoxy-pyridin-3-yl)-1,5-diazocane; (E)-but-2-enedioic acid

Systemtic Name: 1-(6-bromanyl-5-ethenoxy-pyridin-3-yl)-1,5-diazocane; (E)-but-2-enedioic acid Openeye Name: 1-(6-bromo-5-vinyloxy-3-pyridyl)-1,5-diazocane; fumaric acid CAS Name: 1-(6-bromo-5-ethenoxy-3-pyridinyl)-1,5-diazocane; (E)-2-butenedioic acid IUPAC Name: 1-(6-bromo-5-ethenoxypyridin-3-yl)-1,5-diazocane; (E)-but-2-enedioic acid Traditional Name: 1-(6-bromo-5-vinyloxy-3-pyridyl)-1,5-diazocane; fumaric acid Formula: C17H22BrN3O5 MolecularWeight: 428.27768

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Descriptors Computed from Structure

Canonical SMILES:

C=COC1=C(N=CC(=C1)N2CCCNCCC2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=COC1=C(N=CC(=C1)N2CCCNCCC2)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18BrN3O.C4H4O4/c1-2-18-12-9-11(10-16-13(12)14)17-7-3-5-15-6-4-8-17;5-3(6)1-2-4(7)8/h2,9-10,15H,1,3-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+