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

Systemtic Name: methyl (2R)-2-acetamido-3-(4-fluoranyl-3-nitro-phenyl)propanoate Openeye Name: methyl (2R)-2-acetamido-3-(4-fluoro-3-nitro-phenyl)propanoate CAS Name: (2R)-2-acetamido-3-(4-fluoro-3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(4-fluoro-3-nitrophenyl)propanoate Traditional Name: (2R)-2-acetamido-3-(4-fluoro-3-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)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN2O5/c1-7(16)14-10(12(17)20-2)5-8-3-4-9(13)11(6-8)15(18)19/h3-4,6,10H,5H2,1-2H3,(H,14,16)/t10-/m1/s1