(4-nitrophenyl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid (4-nitrobenzyl) ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-14(16-5-3-2-4-6-16)21-12-17(11-19(21)23)20(24)27-13-15-7-9-18(10-8-15)22(25)26/h2-10,14,17H,11-13H2,1H3/t14-,17+/m1/s1