(11E)-11-(3-bromanylpropylidene)-9-methoxy-5H-[1]benzoxepino[3,4-b]pyridine

Systemtic Name: (11E)-11-(3-bromanylpropylidene)-9-methoxy-5H-[1]benzoxepino[3,4-b]pyridine Openeye Name: (11E)-11-(3-bromopropylidene)-9-methoxy-5H-[1]benzoxepino[3,4-b]pyridine CAS Name: (11E)-11-(3-bromopropylidene)-9-methoxy-5H-[1]benzoxepino[3,4-b]pyridine IUPAC Name: (11E)-11-(3-bromopropylidene)-9-methoxy-5H-[1]benzoxepino[3,4-b]pyridine Traditional Name: (11E)-11-(3-bromopropylidene)-9-methoxy-5H-[1]benzoxepino[3,4-b]pyridine Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC3=C(C2=CCCBr)C=CC=N3

Isomeric SMILES

COC1=CC\2=C(C=C1)OCC3=C(/C2=C\CCBr)C=CC=N3

InChI

InChI=1S/C17H16BrNO2/c1-20-12-6-7-17-15(10-12)13(4-2-8-18)14-5-3-9-19-16(14)11-21-17/h3-7,9-10H,2,8,11H2,1H3/b13-4+