5-(1,2,3,4-tetrazol-1-yl)-3H-2-benzofuran-1-one

Systemtic Name: 5-(1,2,3,4-tetrazol-1-yl)-3H-2-benzofuran-1-one Openeye Name: 5-(tetrazol-1-yl)-3H-isobenzofuran-1-one CAS Name: 5-(1-tetrazolyl)-3H-isobenzofuran-1-one IUPAC Name: 5-(tetrazol-1-yl)-3H-2-benzofuran-1-one Traditional Name: 5-(tetrazol-1-yl)phthalide Formula: C9H6N4O2 MolecularWeight: 202.16954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)N3C=NN=N3)C(=O)O1

Isomeric SMILES

C1C2=C(C=CC(=C2)N3C=NN=N3)C(=O)O1

InChI

InChI=1S/C9H6N4O2/c14-9-8-2-1-7(3-6(8)4-15-9)13-5-10-11-12-13/h1-3,5H,4H2