3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-phenylazanyl-propanenitrile

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-phenylazanyl-propanenitrile Openeye Name: 3-anilino-3-(2-bromo-4,5-dimethoxy-phenyl)propanenitrile CAS Name: 3-anilino-3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile IUPAC Name: 3-anilino-3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile Traditional Name: 3-anilino-3-(2-bromo-4,5-dimethoxy-phenyl)propionitrile Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CC#N)NC2=CC=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CC#N)NC2=CC=CC=C2)Br)OC

InChI

InChI=1S/C17H17BrN2O2/c1-21-16-10-13(14(18)11-17(16)22-2)15(8-9-19)20-12-6-4-3-5-7-12/h3-7,10-11,15,20H,8H2,1-2H3