(2,5-dimethoxyphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H22N2O7/c1-26-16-4-6-19(27-2)14(11-16)13-29-20(23)17-12-15(22(24)25)3-5-18(17)21-7-9-28-10-8-21/h3-6,11-12H,7-10,13H2,1-2H3