methyl (2S,4R)-1-[[5-methoxy-2-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[[5-methoxy-2-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[[5-methoxy-2-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[[5-methoxy-2-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[[5-methoxy-2-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[5-methoxy-2-nitro-4-(4-nitrobenzyl)oxy-benzyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H23N3O9 MolecularWeight: 461.42202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC(CC2C(=O)OC)O)[N+](=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C[C@@H](C[C@H]2C(=O)OC)O)[N+](=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O9/c1-31-19-7-14(10-22-11-16(25)8-18(22)21(26)32-2)17(24(29)30)9-20(19)33-12-13-3-5-15(6-4-13)23(27)28/h3-7,9,16,18,25H,8,10-12H2,1-2H3/t16-,18+/m1/s1