ethyl (3S)-3-acetamido-3-(3-nitrophenyl)propanoate

Systemtic Name: ethyl (3S)-3-acetamido-3-(3-nitrophenyl)propanoate Openeye Name: ethyl (3S)-3-acetamido-3-(3-nitrophenyl)propanoate CAS Name: (3S)-3-acetamido-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-acetamido-3-(3-nitrophenyl)propanoate Traditional Name: (3S)-3-acetamido-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-20-13(17)8-12(14-9(2)16)10-5-4-6-11(7-10)15(18)19/h4-7,12H,3,8H2,1-2H3,(H,14,16)/t12-/m0/s1