(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC2=C(C=C1Br)OCCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C(=O)OCC1=CC2=C(C=C1Br)OCCO2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H16BrNO6/c1-10(19-16(20)13-3-2-4-22-13)17(21)25-9-11-7-14-15(8-12(11)18)24-6-5-23-14/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,20)