(2S)-2-(2-iodanyl-5-nitro-phenyl)-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]ethanenitrile

Systemtic Name: (2S)-2-(2-iodanyl-5-nitro-phenyl)-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]ethanenitrile Openeye Name: (2S)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-(2-iodo-5-nitro-phenyl)acetonitrile CAS Name: (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(2-iodo-5-nitrophenyl)acetonitrile IUPAC Name: (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(2-iodo-5-nitrophenyl)acetonitrile Traditional Name: (2S)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-(2-iodo-5-nitro-phenyl)acetonitrile Formula: C16H14IN3O3 MolecularWeight: 423.20513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC(C#N)C2=C(C=CC(=C2)[N+](=O)[O-])I

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CO)N[C@H](C#N)C2=C(C=CC(=C2)[N+](=O)[O-])I

InChI

InChI=1S/C16H14IN3O3/c17-14-7-6-12(20(22)23)8-13(14)15(9-18)19-16(10-21)11-4-2-1-3-5-11/h1-8,15-16,19,21H,10H2/t15-,16+/m1/s1