[1-(2,6-dimethylmorpholin-4-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-(2,6-dimethylmorpholin-4-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(2,6-dimethyl-4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2,6-dimethylmorpholino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6/c1-10-7-14(5-6-15(10)19(22)23)17(21)25-13(4)16(20)18-8-11(2)24-12(3)9-18/h5-7,11-13H,8-9H2,1-4H3