(2S,3S)-2-azaniumyl-2-methyl-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: (2S,3S)-2-azaniumyl-2-methyl-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: (2S,3S)-2-azaniumyl-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate CAS Name: (2S,3S)-2-ammonio-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate IUPAC Name: (2S,3S)-2-azaniumyl-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: (2S,3S)-2-ammonio-3-hydroxy-2-methyl-3-(4-nitrophenyl)propionate Formula: C10H12N2O5 MolecularWeight: 240.21268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5/c1-10(11,9(14)15)8(13)6-2-4-7(5-3-6)12(16)17/h2-5,8,13H,11H2,1H3,(H,14,15)/t8-,10-/m0/s1