8-bromanyl-5,6,7-trimethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 8-bromanyl-5,6,7-trimethoxy-isoquinoline-1-carbonitrile Openeye Name: 8-bromo-5,6,7-trimethoxy-isoquinoline-1-carbonitrile CAS Name: 8-bromo-5,6,7-trimethoxy-1-isoquinolinecarbonitrile IUPAC Name: 8-bromo-5,6,7-trimethoxyisoquinoline-1-carbonitrile Traditional Name: 8-bromo-5,6,7-trimethoxy-isoquinoline-1-carbonitrile Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CN=C2C#N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CN=C2C#N)Br)OC)OC

InChI

InChI=1S/C13H11BrN2O3/c1-17-11-7-4-5-16-8(6-15)9(7)10(14)12(18-2)13(11)19-3/h4-5H,1-3H3