methyl (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4/c1-25-18(22)16-14(11-5-3-2-4-6-11)17(21(23)24)15(20-16)12-7-9-13(19)10-8-12/h2-10,14-17,20H,1H3/t14-,15-,16-,17+/m0/s1