2-(5-bromanyl-2-methoxy-phenyl)-2-(cyclopropylamino)ethanenitrile

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-2-(cyclopropylamino)ethanenitrile Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-2-(cyclopropylamino)acetonitrile CAS Name: 2-(5-bromo-2-methoxyphenyl)-2-(cyclopropylamino)acetonitrile IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-2-(cyclopropylamino)acetonitrile Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-2-(cyclopropylamino)acetonitrile Formula: C12H13BrN2O MolecularWeight: 281.14842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O/c1-16-12-5-2-8(13)6-10(12)11(7-14)15-9-3-4-9/h2,5-6,9,11,15H,3-4H2,1H3