[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O6/c1-21-17-8-7-15(23(26)27)13-16(17)20(25)29-18(14-5-3-2-4-6-14)19(24)22-9-11-28-12-10-22/h2-8,13,18,21H,9-12H2,1H3/t18-/m1/s1