2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3-oxidanyl-propanenitrile

Systemtic Name: 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3-oxidanyl-propanenitrile Openeye Name: 2-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-3-hydroxy-propanenitrile CAS Name: 2-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3-hydroxypropanenitrile IUPAC Name: 2-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3-hydroxypropanenitrile Traditional Name: 2-(2-bromo-3,4,5-trimethoxy-benzyl)-3-hydroxy-propionitrile Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC(CO)C#N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC(CO)C#N)Br)OC)OC

InChI

InChI=1S/C13H16BrNO4/c1-17-10-5-9(4-8(6-15)7-16)11(14)13(19-3)12(10)18-2/h5,8,16H,4,7H2,1-3H3