[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C19H20N2O9S MolecularWeight: 452.4351

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OC(C2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)O[C@H](C2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O9S/c1-28-16-9-8-14(12-15(16)21(24)25)31(26,27)20-11-10-17(22)30-18(19(23)29-2)13-6-4-3-5-7-13/h3-9,12,18,20H,10-11H2,1-2H3/t18-/m1/s1