(4-acetamidophenyl) 6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (4-acetamidophenyl) 6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (4-acetamidophenyl) 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-bromo-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (4-acetamidophenyl) ester Formula: C16H13BrN2O6S MolecularWeight: 441.25322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br

InChI

InChI=1S/C16H13BrN2O6S/c1-9(20)18-10-2-4-11(5-3-10)25-26(22,23)15-7-14-13(6-12(15)17)19-16(21)8-24-14/h2-7H,8H2,1H3,(H,18,20)(H,19,21)