2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(cyclopropylamino)ethanenitrile

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(cyclopropylamino)ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(cyclopropylamino)acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(cyclopropylamino)acetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(cyclopropylamino)acetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(cyclopropylamino)acetonitrile Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C#N)NC2CC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C#N)NC2CC2)Br)O

InChI

InChI=1S/C12H13BrN2O2/c1-17-11-5-7(4-9(13)12(11)16)10(6-14)15-8-2-3-8/h4-5,8,10,15-16H,2-3H2,1H3