(3,4,5-trimethoxyphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (3,4,5-trimethoxybenzyl) ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O8/c1-27-18-10-14(11-19(28-2)20(18)29-3)13-31-21(24)15-4-5-16(17(12-15)23(25)26)22-6-8-30-9-7-22/h4-5,10-12H,6-9,13H2,1-3H3