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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-benzamido-3-phenyl-propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O7/c28-23(33-15-20-12-21(27(30)31)11-19-14-32-16-34-24(19)20)13-22(17-7-3-1-4-8-17)26-25(29)18-9-5-2-6-10-18/h1-12,22H,13-16H2,(H,26,29)