(3,4,5-trimethoxyphenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (3,4,5-trimethoxybenzyl) ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8/c1-27-16-10-13(11-17(28-2)19(16)29-3)12-30-18(23)8-9-21-20(24)14-4-6-15(7-5-14)22(25)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24)