[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(2S,6S)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-10-7-16(8-11(2)23-10)14(18)9-22-15(19)12-3-5-13(6-4-12)17(20)21/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1