(4-cyano-2-methoxy-phenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (4-cyano-2-methoxy-phenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (4-cyano-2-methoxy-phenyl) ester Formula: C16H11ClN2O6S MolecularWeight: 394.78634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C16H11ClN2O6S/c1-23-14-4-9(7-18)2-3-12(14)25-26(21,22)15-6-13-11(5-10(15)17)19-16(20)8-24-13/h2-6H,8H2,1H3,(H,19,20)