3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoic acid

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoic acid Openeye Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoic acid CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoic acid IUPAC Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoic acid Traditional Name: 3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]propionic acid Formula: C11H10ClNO6S MolecularWeight: 319.7182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)CCC(=O)O)Cl

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)CCC(=O)O)Cl

InChI

InChI=1S/C11H10ClNO6S/c12-6-3-7-8(19-5-10(14)13-7)4-9(6)20(17,18)2-1-11(15)16/h3-4H,1-2,5H2,(H,13,14)(H,15,16)