4,5-dimethoxy-2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 4,5-dimethoxy-2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 4,5-dimethoxy-2-(tetrazol-1-yl)benzoate CAS Name: 4,5-dimethoxy-2-(1-tetrazolyl)benzoate IUPAC Name: 4,5-dimethoxy-2-(tetrazol-1-yl)benzoate Traditional Name: 4,5-dimethoxy-2-(tetrazol-1-yl)benzoate Formula: C10H9N4O4- MolecularWeight: 249.20286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])N2C=NN=N2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])N2C=NN=N2)OC

InChI

InChI=1S/C10H10N4O4/c1-17-8-3-6(10(15)16)7(4-9(8)18-2)14-5-11-12-13-14/h3-5H,1-2H3,(H,15,16)/p-1