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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)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-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16N2O8 MolecularWeight: 400.33894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C4=CC=CC=C4OC3=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C4=CC=CC=C4OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8/c22-17(5-6-20-15-3-1-2-4-16(15)29-19(20)23)27-10-13-8-14(21(24)25)7-12-9-26-11-28-18(12)13/h1-4,7-8H,5-6,9-11H2