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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethanoylamino)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H20N2O7 MolecularWeight: 448.4248

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O7/c27-22(10-16-6-2-1-3-7-16)25-21-9-5-4-8-20(21)24(28)32-14-18-12-19(26(29)30)11-17-13-31-15-33-23(17)18/h1-9,11-12H,10,13-15H2,(H,25,27)