(2-oxidanylideneoxolan-3-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1COC(=O)C1OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C14H13N3O4/c18-13(21-12-5-6-20-14(12)19)11-3-1-10(2-4-11)7-17-9-15-8-16-17/h1-4,8-9,12H,5-7H2