[2-morpholin-4-yl-1-(4-nitrophenyl)ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-morpholin-4-yl-1-(4-nitrophenyl)ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-morpholino-1-(4-nitrophenyl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(4-morpholinyl)-1-(4-nitrophenyl)ethyl] ester IUPAC Name: [2-morpholin-4-yl-1-(4-nitrophenyl)ethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-morpholino-1-(4-nitrophenyl)ethyl] ester Formula: C22H26N2O8 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O8/c1-28-18-12-16(13-19(29-2)21(18)30-3)22(25)32-20(14-23-8-10-31-11-9-23)15-4-6-17(7-5-15)24(26)27/h4-7,12-13,20H,8-11,14H2,1-3H3