(4-nitrophenyl)methyl 3-bromanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-bromanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-nitrophenyl)methyl 2-(benzyloxycarbonylamino)-3-bromo-propanoate CAS Name: 3-bromo-2-(phenylmethoxycarbonylamino)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-bromo-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-bromo-propionic acid (4-nitrobenzyl) ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CBr)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CBr)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O6/c19-10-16(20-18(23)27-12-13-4-2-1-3-5-13)17(22)26-11-14-6-8-15(9-7-14)21(24)25/h1-9,16H,10-12H2,(H,20,23)