methyl (2S)-2-acetamido-3-(3-fluoranyl-4-nitro-phenyl)propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(3-fluoranyl-4-nitro-phenyl)propanoate Openeye Name: methyl (2S)-2-acetamido-3-(3-fluoro-4-nitro-phenyl)propanoate CAS Name: (2S)-2-acetamido-3-(3-fluoro-4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(3-fluoro-4-nitrophenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(3-fluoro-4-nitro-phenyl)propionic acid methyl ester Formula: C12H13FN2O5 MolecularWeight: 284.240423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN2O5/c1-7(16)14-10(12(17)20-2)6-8-3-4-11(15(18)19)9(13)5-8/h3-5,10H,6H2,1-2H3,(H,14,16)/t10-/m0/s1