methyl (2R)-1-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azetidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azetidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]azetidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-azetidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]azetidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]azetidin-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[NH+]1CC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-20-13(17)11-6-7-14(11)8-12(16)9-2-4-10(5-3-9)15(18)19/h2-5,11-12,16H,6-8H2,1H3/p+1/t11-,12+/m1/s1