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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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