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

Systemtic Name: 3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid Openeye Name: 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid CAS Name: 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid IUPAC Name: 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid Traditional Name: 3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]propionic acid Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H11NO6S/c13-10-6-18-9-2-1-7(5-8(9)12-10)19(16,17)4-3-11(14)15/h1-2,5H,3-4,6H2,(H,12,13)(H,14,15)