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

Systemtic Name: (phenylmethyl) (2S)-2-isocyanato-3-(4-nitrophenyl)propanoate Openeye Name: benzyl (2S)-2-isocyanato-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-isocyanato-3-(4-nitrophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-isocyanato-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-isocyanato-3-(4-nitrophenyl)propionic acid benzyl ester Formula: C17H14N2O5 MolecularWeight: 326.30346

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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=C=O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5/c20-12-18-16(10-13-6-8-15(9-7-13)19(22)23)17(21)24-11-14-4-2-1-3-5-14/h1-9,16H,10-11H2/t16-/m0/s1