2-[(2S,4R)-2-tert-butyl-5-oxidanylidene-4-phenyl-1,3-dioxolan-4-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2S,4R)-2-tert-butyl-5-oxidanylidene-4-phenyl-1,3-dioxolan-4-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2S,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-5-nitro-benzonitrile CAS Name: 2-[(2S,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-5-nitrobenzonitrile IUPAC Name: 2-[(2S,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-5-nitrobenzonitrile Traditional Name: 2-[(2S,4R)-2-tert-butyl-5-keto-4-phenyl-1,3-dioxolan-4-yl]-5-nitro-benzonitrile Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OC(=O)C(O1)(C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)[C@@H]1OC(=O)[C@@](O1)(C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N2O5/c1-19(2,3)18-26-17(23)20(27-18,14-7-5-4-6-8-14)16-10-9-15(22(24)25)11-13(16)12-21/h4-11,18H,1-3H3/t18-,20-/m1/s1