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

Systemtic Name: ethyl (2S,3R,4S,5S)-5-(4-methylphenyl)-4-nitro-3-phenyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,3R,4S,5S)-4-nitro-3-phenyl-5-(p-tolyl)pyrrolidine-2-carboxylate CAS Name: (2S,3R,4S,5S)-5-(4-methylphenyl)-4-nitro-3-phenyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S,5S)-5-(4-methylphenyl)-4-nitro-3-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3R,4S,5S)-4-nitro-3-phenyl-5-(p-tolyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-26-20(23)18-16(14-7-5-4-6-8-14)19(22(24)25)17(21-18)15-11-9-13(2)10-12-15/h4-12,16-19,21H,3H2,1-2H3/t16-,17+,18+,19+/m1/s1