(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]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-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)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:

COC1=CC=CC=C1C(=O)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

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