ethyl 3-[[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]coumarilic acid ethyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H17N3O5/c1-2-27-21(26)19-17(16-5-3-4-6-18(16)29-19)11-28-20(25)14-7-9-15(10-8-14)24-13-22-12-23-24/h3-10,12-13H,2,11H2,1H3