2-[(1S)-3-(4-bromophenyl)-3-oxidanylidene-1-phenyl-propyl]propanedinitrile

Systemtic Name: 2-[(1S)-3-(4-bromophenyl)-3-oxidanylidene-1-phenyl-propyl]propanedinitrile Openeye Name: 2-[(1S)-3-(4-bromophenyl)-3-oxo-1-phenyl-propyl]propanedinitrile CAS Name: 2-[(1S)-3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile IUPAC Name: 2-[(1S)-3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile Traditional Name: 2-[(1S)-3-(4-bromophenyl)-3-keto-1-phenyl-propyl]malononitrile Formula: C18H13BrN2O MolecularWeight: 353.21262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CC(=O)C2=CC=C(C=C2)Br)C(C#N)C#N

InChI

InChI=1S/C18H13BrN2O/c19-16-8-6-14(7-9-16)18(22)10-17(15(11-20)12-21)13-4-2-1-3-5-13/h1-9,15,17H,10H2/t17-/m1/s1