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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(diethylamino)ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(diethylamino)acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(diethylamino)acetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(diethylamino)acetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(diethylamino)acetonitrile Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O2/c1-4-16(5-2)11(8-15)9-6-10(14)13(17)12(7-9)18-3/h6-7,11,17H,4-5H2,1-3H3