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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(propan-2-ylamino)ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(isopropylamino)acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(propan-2-ylamino)acetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(propan-2-ylamino)acetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(isopropylamino)acetonitrile Formula: C12H15BrN2O2 MolecularWeight: 299.1637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C#N)C1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(C)NC(C#N)C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C12H15BrN2O2/c1-7(2)15-10(6-14)8-4-9(13)12(16)11(5-8)17-3/h4-5,7,10,15-16H,1-3H3