[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-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] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[(2S,6S)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/c1-10-7-17(8-11(2)24-10)15(19)9-23-16(20)13-5-4-6-14(12(13)3)18(21)22/h4-6,10-11H,7-9H2,1-3H3/t10-,11-/m0/s1