5-ethyl-1-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]triazole-4-carboxylic acid CAS Name: 5-ethyl-1-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-[3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]triazole-4-carboxylic acid Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)C(=O)O

InChI

InChI=1S/C19H17N5O6S/c1-2-15-18(19(26)27)21-23-24(15)12-5-3-4-11(8-12)22-31(28,29)13-6-7-16-14(9-13)20-17(25)10-30-16/h3-9,22H,2,10H2,1H3,(H,20,25)(H,26,27)