(2S)-2-azanyl-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: (2S)-2-azanyl-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: (2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol CAS Name: (2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: (2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: (2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C([C@H](CO)N)O)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9?/m0/s1