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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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