methyl 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyloxy]benzoate

Systemtic Name: methyl 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyloxy]benzoate Openeye Name: methyl 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyloxy]benzoate CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyloxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyloxy]benzoate Traditional Name: 3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyloxy]benzoic acid methyl ester Formula: C16H12ClNO7S MolecularWeight: 397.78698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C16H12ClNO7S/c1-23-16(20)9-3-2-4-10(5-9)25-26(21,22)14-7-13-12(6-11(14)17)18-15(19)8-24-13/h2-7H,8H2,1H3,(H,18,19)