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

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-14-13-16(7-8-17(14)22(25)26)20(24)28-18(15-5-3-2-4-6-15)19(23)21-9-11-27-12-10-21/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1