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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-phenylethanoylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c23-18(8-14-4-2-1-3-5-14)21-7-6-19(24)28-12-16-10-17(22(25)26)9-15-11-27-13-29-20(15)16/h1-5,9-10H,6-8,11-13H2,(H,21,23)