[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3)OC

InChI

InChI=1S/C22H24N2O8/c1-3-31-19-14-17(24(27)28)16(13-18(19)29-2)22(26)32-20(15-7-5-4-6-8-15)21(25)23-9-11-30-12-10-23/h4-8,13-14,20H,3,9-12H2,1-2H3/t20-/m0/s1