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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H24N2O8 MolecularWeight: 492.47736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O8/c29-25(34-16-21-13-22(28(31)32)12-20-15-33-17-36-24(20)21)23(11-18-7-3-1-4-8-18)27-26(30)35-14-19-9-5-2-6-10-19/h1-10,12-13,23H,11,14-17H2,(H,27,30)