methyl (2R,4S)-1-[(3-nitrophenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-[(3-nitrophenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2R,4S)-4-hydroxy-1-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R,4S)-4-hydroxy-1-[(3-nitrophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-hydroxy-1-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R,4S)-4-hydroxy-1-(3-nitrobenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H17N2O5+ MolecularWeight: 281.28448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](C[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H16N2O5/c1-20-13(17)12-6-11(16)8-14(12)7-9-3-2-4-10(5-9)15(18)19/h2-5,11-12,16H,6-8H2,1H3/p+1/t11-,12+/m0/s1