(2R,4S)-1-(4-cyanophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(4-cyanophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(4-cyanobenzoyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[(4-cyanophenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(4-cyanobenzoyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-cyanobenzoyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)[O-])C(=O)C2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1[C@@H](CN([C@H]1C(=O)[O-])C(=O)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H12N2O4/c14-6-8-1-3-9(4-2-8)12(17)15-7-10(16)5-11(15)13(18)19/h1-4,10-11,16H,5,7H2,(H,18,19)/p-1/t10-,11+/m0/s1