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

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (2-chloro-4-cyano-phenyl) 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-bromo-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (2-chloro-4-cyano-phenyl) ester Formula: C15H8BrClN2O5S MolecularWeight: 443.65642

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)OC3=C(C=C(C=C3)C#N)Cl)Br

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)OC3=C(C=C(C=C3)C#N)Cl)Br

InChI

InChI=1S/C15H8BrClN2O5S/c16-9-4-11-13(23-7-15(20)19-11)5-14(9)25(21,22)24-12-2-1-8(6-18)3-10(12)17/h1-5H,7H2,(H,19,20)