1-(6-bromanyl-5-ethenoxy-pyridin-3-yl)-1,4-diazepane; (E)-but-2-enedioic acid

Systemtic Name: 1-(6-bromanyl-5-ethenoxy-pyridin-3-yl)-1,4-diazepane; (E)-but-2-enedioic acid Openeye Name: 1-(6-bromo-5-vinyloxy-3-pyridyl)-1,4-diazepane; fumaric acid CAS Name: 1-(6-bromo-5-ethenoxy-3-pyridinyl)-1,4-diazepane; (E)-2-butenedioic acid IUPAC Name: 1-(6-bromo-5-ethenoxypyridin-3-yl)-1,4-diazepane; (E)-but-2-enedioic acid Traditional Name: 1-(6-bromo-5-vinyloxy-3-pyridyl)-1,4-diazepane; fumaric acid Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

C=COC1=C(N=CC(=C1)N2CCCNCC2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=COC1=C(N=CC(=C1)N2CCCNCC2)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16BrN3O.C4H4O4/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16;5-3(6)1-2-4(7)8/h2,8-9,14H,1,3-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+