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

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonylamino]propionic acid Formula: C11H11ClN2O6S MolecularWeight: 334.73284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O6S/c12-6-3-7-8(20-5-10(15)14-7)4-9(6)21(18,19)13-2-1-11(16)17/h3-4,13H,1-2,5H2,(H,14,15)(H,16,17)