(5S)-5-[(4-bromanyl-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

Systemtic Name: (5S)-5-[(4-bromanyl-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide Openeye Name: (5S)-5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole-3-carboxamide CAS Name: (5S)-5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole-3-carboxamide IUPAC Name: (5S)-5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide Traditional Name: (5S)-5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-2-isoxazoline-3-carboxamide Formula: C14H15BrN2O6 MolecularWeight: 387.1827

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1OC)OCO2)Br)CC3CC(=NO3)C(=O)N

Isomeric SMILES

COC1=C(C(=C2C(=C1OC)OCO2)Br)C[C@H]3CC(=NO3)C(=O)N

InChI

InChI=1S/C14H15BrN2O6/c1-19-10-7(3-6-4-8(14(16)18)17-23-6)9(15)11-13(12(10)20-2)22-5-21-11/h6H,3-5H2,1-2H3,(H2,16,18)/t6-/m0/s1