(3,4-dimethoxyphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3,4-dimethoxyphenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid veratryl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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