6-[[(3-oxidanylidene-1,2-benzoxazol-5-yl)sulfonylamino]methyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[(3-oxidanylidene-1,2-benzoxazol-5-yl)sulfonylamino]methyl]pyridine-3-carboxylic acid Openeye Name: 6-[[(3-oxo-1,2-benzoxazol-5-yl)sulfonylamino]methyl]pyridine-3-carboxylic acid CAS Name: 6-[[(3-oxo-1,2-benzoxazol-5-yl)sulfonylamino]methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[(3-oxo-1,2-benzoxazol-5-yl)sulfonylamino]methyl]pyridine-3-carboxylic acid Traditional Name: 6-[[(3-ketoindoxazen-5-yl)sulfonylamino]methyl]nicotinic acid Formula: C14H11N3O6S MolecularWeight: 349.31864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NCC3=NC=C(C=C3)C(=O)O)C(=O)NO2

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NCC3=NC=C(C=C3)C(=O)O)C(=O)NO2

InChI

InChI=1S/C14H11N3O6S/c18-13-11-5-10(3-4-12(11)23-17-13)24(21,22)16-7-9-2-1-8(6-15-9)14(19)20/h1-6,16H,7H2,(H,17,18)(H,19,20)