(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2R)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2R)-2-[(2-phenoxyacetyl)amino]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O8 MolecularWeight: 416.3814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O8/c1-13(21-18(23)11-28-17-5-3-2-4-6-17)20(24)29-10-15-8-16(22(25)26)7-14-9-27-12-30-19(14)15/h2-8,13H,9-12H2,1H3,(H,21,23)/t13-/m1/s1