(4R,6R)-4-(4-nitrophenyl)-6-phenylmethoxy-spiro[2.3]hexane-5,5-dicarbonitrile

Systemtic Name: (4R,6R)-4-(4-nitrophenyl)-6-phenylmethoxy-spiro[2.3]hexane-5,5-dicarbonitrile Openeye Name: (4R,6R)-6-benzyloxy-4-(4-nitrophenyl)spiro[2.3]hexane-5,5-dicarbonitrile CAS Name: (4R,6R)-4-(4-nitrophenyl)-6-phenylmethoxyspiro[2.3]hexane-5,5-dicarbonitrile IUPAC Name: (4R,6R)-4-(4-nitrophenyl)-6-phenylmethoxyspiro[2.3]hexane-5,5-dicarbonitrile Traditional Name: (4R,6R)-6-benzoxy-4-(4-nitrophenyl)spiro[2.3]hexane-5,5-dicarbonitrile Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC12C(C(C2OCC3=CC=CC=C3)(C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC12[C@H](C([C@@H]2OCC3=CC=CC=C3)(C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3/c22-13-21(14-23)18(16-6-8-17(9-7-16)24(25)26)20(10-11-20)19(21)27-12-15-4-2-1-3-5-15/h1-9,18-19H,10-12H2/t18-,19-/m1/s1