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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H16N2O8 MolecularWeight: 376.31754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H16N2O8/c1-10(18-16(20)14-3-2-4-25-14)17(21)26-8-12-6-13(19(22)23)5-11-7-24-9-27-15(11)12/h2-6,10H,7-9H2,1H3,(H,18,20)