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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H20N2O8 MolecularWeight: 452.4135

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O8/c26-22(20-7-4-8-31-20)24-19(9-15-5-2-1-3-6-15)23(27)32-13-17-11-18(25(28)29)10-16-12-30-14-33-21(16)17/h1-8,10-11,19H,9,12-14H2,(H,24,26)/t19-/m0/s1