(4-nitrophenyl)methyl (2S)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate CAS Name: (2S)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propionic acid (4-nitrobenzyl) ester Formula: C20H22N2O8 MolecularWeight: 418.39728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H22N2O8/c1-12(20(24)30-11-13-5-7-15(8-6-13)22(25)26)21-19(23)14-9-16(27-2)18(29-4)17(10-14)28-3/h5-10,12H,11H2,1-4H3,(H,21,23)/t12-/m0/s1