methyl (2S,3R,4S,5S)-3-[4-(2-hydroxyethyloxy)phenyl]-4-nitro-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R,4S,5S)-3-[4-(2-hydroxyethyloxy)phenyl]-4-nitro-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R,4S,5S)-3-[4-(2-hydroxyethoxy)phenyl]-4-nitro-5-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S,3R,4S,5S)-3-[4-(2-hydroxyethoxy)phenyl]-4-nitro-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S,5S)-3-[4-(2-hydroxyethoxy)phenyl]-4-nitro-5-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3R,4S,5S)-3-[4-(2-hydroxyethoxy)phenyl]-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCO

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCO

InChI

InChI=1S/C20H22N2O6/c1-27-20(24)18-16(13-7-9-15(10-8-13)28-12-11-23)19(22(25)26)17(21-18)14-5-3-2-4-6-14/h2-10,16-19,21,23H,11-12H2,1H3/t16-,17+,18+,19+/m1/s1