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

Systemtic Name: 1-(6-bromanyl-5-chloranyl-pyridin-3-yl)-1,4-diazepane; (E)-but-2-enedioic acid Openeye Name: 1-(6-bromo-5-chloro-3-pyridyl)-1,4-diazepane; fumaric acid CAS Name: 1-(6-bromo-5-chloro-3-pyridinyl)-1,4-diazepane; (E)-2-butenedioic acid IUPAC Name: 1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane; (E)-but-2-enedioic acid Traditional Name: 1-(6-bromo-5-chloro-3-pyridyl)-1,4-diazepane; fumaric acid Formula: C14H17BrClN3O4 MolecularWeight: 406.65948

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(N=C2)Br)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(N=C2)Br)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13BrClN3.C4H4O4/c11-10-9(12)6-8(7-14-10)15-4-1-2-13-3-5-15;5-3(6)1-2-4(7)8/h6-7,13H,1-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+