2-methoxy-4-(morpholin-4-ium-4-ylmethyl)-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-(morpholin-4-ium-4-ylmethyl)-6-nitro-phenolate Openeye Name: 2-methoxy-4-(morpholin-4-ium-4-ylmethyl)-6-nitro-phenolate CAS Name: 2-methoxy-4-(4-morpholin-4-iumylmethyl)-6-nitrophenolate IUPAC Name: 2-methoxy-4-(morpholin-4-ium-4-ylmethyl)-6-nitrophenolate Traditional Name: 2-methoxy-4-(morpholin-4-ium-4-ylmethyl)-6-nitro-phenolate Formula: C12H16N2O5 MolecularWeight: 268.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCOCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCOCC2

InChI

InChI=1S/C12H16N2O5/c1-18-11-7-9(6-10(12(11)15)14(16)17)8-13-2-4-19-5-3-13/h6-7,15H,2-5,8H2,1H3