[(2R,3S)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-3-yl] benzoate

Systemtic Name: [(2R,3S)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-3-yl] benzoate Openeye Name: [(2R,3S)-2-(hydroxymethyl)-5-oxo-pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [(2R,3S)-2-(hydroxymethyl)-5-oxo-3-pyrrolidinyl] ester IUPAC Name: [(2R,3S)-2-(hydroxymethyl)-5-oxopyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S)-5-keto-2-methylol-pyrrolidin-3-yl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(NC1=O)CO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1[C@@H]([C@H](NC1=O)CO)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO4/c14-7-9-10(6-11(15)13-9)17-12(16)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H,13,15)/t9-,10+/m1/s1