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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O7/c1-13(23)21-18(14-5-3-2-4-6-14)9-19(24)28-11-16-8-17(22(25)26)7-15-10-27-12-29-20(15)16/h2-8,18H,9-12H2,1H3,(H,21,23)/t18-/m1/s1