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

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-2-29-18-9-8-16(14-17(18)23(26)27)21(25)30-19(15-6-4-3-5-7-15)20(24)22-10-12-28-13-11-22/h3-9,14,19H,2,10-13H2,1H3/t19-/m1/s1