(2S)-2-acetamido-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-acetamido-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-acetamido-3-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: (2S)-2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: (2S)-2-acetamido-3-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N2O6/c1-6(14)12-8(11(16)17)4-7-2-3-10(15)9(5-7)13(18)19/h2-3,5,8,15H,4H2,1H3,(H,12,14)(H,16,17)/t8-/m0/s1