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

Systemtic Name: (3,4-dimethoxyphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3,4-dimethoxyphenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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