(phenylmethyl) (2S)-3-nitro-2-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-3-nitro-2-phenyl-propanoate Openeye Name: benzyl (2S)-3-nitro-2-phenyl-propanoate CAS Name: (2S)-3-nitro-2-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-nitro-2-phenylpropanoate Traditional Name: (2S)-3-nitro-2-phenyl-propionic acid benzyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H15NO4/c18-16(21-12-13-7-3-1-4-8-13)15(11-17(19)20)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1