(2S,3S)-2-azaniumyl-3-(3-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: (2S,3S)-2-azaniumyl-3-(3-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: (2S,3S)-2-azaniumyl-3-hydroxy-3-(3-nitrophenyl)propanoate CAS Name: (2S,3S)-2-ammonio-3-hydroxy-3-(3-nitrophenyl)propanoate IUPAC Name: (2S,3S)-2-azaniumyl-3-hydroxy-3-(3-nitrophenyl)propanoate Traditional Name: (2S,3S)-2-ammonio-3-hydroxy-3-(3-nitrophenyl)propionate Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@@H]([C@@H](C(=O)[O-])[NH3+])O

InChI

InChI=1S/C9H10N2O5/c10-7(9(13)14)8(12)5-2-1-3-6(4-5)11(15)16/h1-4,7-8,12H,10H2,(H,13,14)/t7-,8-/m0/s1