(2S)-2-azanyl-3-(3-fluoranyl-4-nitro-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(3-fluoranyl-4-nitro-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(3-fluoro-4-nitro-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(3-fluoro-4-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(3-fluoro-4-nitrophenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(3-fluoro-4-nitro-phenyl)propionic acid Formula: C9H9FN2O4 MolecularWeight: 228.177163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C9H9FN2O4/c10-6-3-5(4-7(11)9(13)14)1-2-8(6)12(15)16/h1-3,7H,4,11H2,(H,13,14)/t7-/m0/s1