(phenylmethyl) (2S)-2-azanyl-3-(4-nitrophenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-3-(4-nitrophenyl)propanoate Openeye Name: benzyl (2S)-2-amino-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-amino-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-amino-3-(4-nitrophenyl)propionic acid benzyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H16N2O4/c17-15(10-12-6-8-14(9-7-12)18(20)21)16(19)22-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2/t15-/m0/s1