4-[(2R,3R)-3-diethoxyphosphoryl-4-oxidanylidene-1-phenyl-azetidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R,3R)-3-diethoxyphosphoryl-4-oxidanylidene-1-phenyl-azetidin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2R,3R)-3-diethoxyphosphoryl-4-oxo-1-phenyl-azetidin-2-yl]benzonitrile CAS Name: 4-[(2R,3R)-3-diethoxyphosphoryl-4-oxo-1-phenyl-2-azetidinyl]benzonitrile IUPAC Name: 4-[(2R,3R)-3-diethoxyphosphoryl-4-oxo-1-phenylazetidin-2-yl]benzonitrile Traditional Name: 4-[(2R,3R)-3-diethoxyphosphoryl-4-keto-1-phenyl-azetidin-2-yl]benzonitrile Formula: C20H21N2O4P MolecularWeight: 384.365501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCOP(=O)([C@@H]1[C@H](N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C20H21N2O4P/c1-3-25-27(24,26-4-2)19-18(16-12-10-15(14-21)11-13-16)22(20(19)23)17-8-6-5-7-9-17/h5-13,18-19H,3-4H2,1-2H3/t18-,19-/m1/s1