4-[(1R)-2-azaniumyl-1-morpholin-4-yl-ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-morpholin-4-yl-ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-morpholino-ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(4-morpholinyl)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-morpholin-4-ylethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-morpholino-ethyl]-2-methoxy-6-nitro-phenolate Formula: C13H19N3O5 MolecularWeight: 297.30706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C(C[NH3+])N2CCOCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H](C[NH3+])N2CCOCC2

InChI

InChI=1S/C13H19N3O5/c1-20-12-7-9(6-10(13(12)17)16(18)19)11(8-14)15-2-4-21-5-3-15/h6-7,11,17H,2-5,8,14H2,1H3/t11-/m0/s1