tert-butyl (2R,3R,4R)-3-(4-bromophenyl)-2-diethoxyphosphoryl-4-nitro-pentanoate

Systemtic Name: tert-butyl (2R,3R,4R)-3-(4-bromophenyl)-2-diethoxyphosphoryl-4-nitro-pentanoate Openeye Name: tert-butyl (2R,3R,4R)-3-(4-bromophenyl)-2-diethoxyphosphoryl-4-nitro-pentanoate CAS Name: (2R,3R,4R)-3-(4-bromophenyl)-2-diethoxyphosphoryl-4-nitropentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R,4R)-3-(4-bromophenyl)-2-diethoxyphosphoryl-4-nitropentanoate Traditional Name: (2R,3R,4R)-3-(4-bromophenyl)-2-diethoxyphosphoryl-4-nitro-valeric acid tert-butyl ester Formula: C19H29BrNO7P MolecularWeight: 494.313821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(C1=CC=C(C=C1)Br)C(C)[N+](=O)[O-])C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)([C@H]([C@H](C1=CC=C(C=C1)Br)[C@@H](C)[N+](=O)[O-])C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C19H29BrNO7P/c1-7-26-29(25,27-8-2)17(18(22)28-19(4,5)6)16(13(3)21(23)24)14-9-11-15(20)12-10-14/h9-13,16-17H,7-8H2,1-6H3/t13-,16+,17-/m1/s1