tert-butyl (4R)-2,2-dimethyl-4-[2-(4-nitrophenyl)ethynyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-2,2-dimethyl-4-[2-(4-nitrophenyl)ethynyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-2,2-dimethyl-4-[2-(4-nitrophenyl)ethynyl]oxazolidine-3-carboxylate CAS Name: (4R)-2,2-dimethyl-4-[2-(4-nitrophenyl)ethynyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-2,2-dimethyl-4-[2-(4-nitrophenyl)ethynyl]-1,3-oxazolidine-3-carboxylate Traditional Name: (4R)-2,2-dimethyl-4-[2-(4-nitrophenyl)ethynyl]oxazolidine-3-carboxylic acid tert-butyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@@H](CO1)C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)C

InChI

InChI=1S/C18H22N2O5/c1-17(2,3)25-16(21)19-15(12-24-18(19,4)5)11-8-13-6-9-14(10-7-13)20(22)23/h6-7,9-10,15H,12H2,1-5H3/t15-/m1/s1