[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-[(2S,6S)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CC(OC(C2)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2C[C@@H](O[C@H](C2)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H24N2O8/c1-5-26-16-6-13(14(20(23)24)7-15(16)25-4)18(22)27-10-17(21)19-8-11(2)28-12(3)9-19/h6-7,11-12H,5,8-10H2,1-4H3/t11-,12-/m0/s1