3,4,5-trimethoxy-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid Traditional Name: 2-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]-3,4,5-trimethoxy-benzoic acid Formula: C18H18N2O9S MolecularWeight: 438.40852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC)OC

InChI

InChI=1S/C18H18N2O9S/c1-26-13-7-10(18(22)23)15(17(28-3)16(13)27-2)20-30(24,25)9-4-5-12-11(6-9)19-14(21)8-29-12/h4-7,20H,8H2,1-3H3,(H,19,21)(H,22,23)