(4-nitrophenyl) 2-(2,1,3-benzoxadiazol-5-yloxymethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-nitrophenyl) 2-(2,1,3-benzoxadiazol-5-yloxymethyl)-1,3-thiazole-4-carboxylate Openeye Name: (4-nitrophenyl) 2-(2,1,3-benzoxadiazol-5-yloxymethyl)thiazole-4-carboxylate CAS Name: 2-(2,1,3-benzoxadiazol-5-yloxymethyl)-4-thiazolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(2,1,3-benzoxadiazol-5-yloxymethyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzofurazan-5-yloxymethyl)thiazole-4-carboxylic acid (4-nitrophenyl) ester Formula: C17H10N4O6S MolecularWeight: 398.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=CSC(=N2)COC3=CC4=NON=C4C=C3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=CSC(=N2)COC3=CC4=NON=C4C=C3

InChI

InChI=1S/C17H10N4O6S/c22-17(26-11-3-1-10(2-4-11)21(23)24)15-9-28-16(18-15)8-25-12-5-6-13-14(7-12)20-27-19-13/h1-7,9H,8H2