O1-tert-butyl O2-ethyl (2S)-3-(4-bromophenyl)-5-oxidanylidene-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2S)-3-(4-bromophenyl)-5-oxidanylidene-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S)-3-(4-bromophenyl)-5-oxo-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-3-(4-bromophenyl)-5-oxopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S)-3-(4-bromophenyl)-5-oxopyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-3-(4-bromophenyl)-5-keto-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)N1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)[C@@H]1C(CC(=O)N1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrNO5/c1-5-24-16(22)15-13(11-6-8-12(19)9-7-11)10-14(21)20(15)17(23)25-18(2,3)4/h6-9,13,15H,5,10H2,1-4H3/t13?,15-/m0/s1