[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-27-20(24)18(14-5-3-2-4-6-14)29-19(23)15-7-8-16(17(13-15)22(25)26)21-9-11-28-12-10-21/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1