ethyl (2S,3R,4S,5S)-3-(4-methoxyphenyl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,3R,4S,5S)-3-(4-methoxyphenyl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,3R,4S,5S)-3-(4-methoxyphenyl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S,3R,4S,5S)-3-(4-methoxyphenyl)-4-nitro-5-phenyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S,5S)-3-(4-methoxyphenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3R,4S,5S)-3-(4-methoxyphenyl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-3-27-20(23)18-16(13-9-11-15(26-2)12-10-13)19(22(24)25)17(21-18)14-7-5-4-6-8-14/h4-12,16-19,21H,3H2,1-2H3/t16-,17+,18+,19+/m1/s1