2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-pyrrolidin-1-yl-ethanenitrile

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-pyrrolidin-1-yl-ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-pyrrolidin-1-yl-acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1-pyrrolidinyl)acetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-pyrrolidino-acetonitrile Formula: C13H15BrN2O2 MolecularWeight: 311.1744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C#N)N2CCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C#N)N2CCCC2)Br)O

InChI

InChI=1S/C13H15BrN2O2/c1-18-12-7-9(6-10(14)13(12)17)11(8-15)16-4-2-3-5-16/h6-7,11,17H,2-5H2,1H3