3-methoxy-4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 3-methoxy-4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 3-methoxy-4-(tetrazol-1-yl)benzoate CAS Name: 3-methoxy-4-(1-tetrazolyl)benzoate IUPAC Name: 3-methoxy-4-(tetrazol-1-yl)benzoate Traditional Name: 3-methoxy-4-(tetrazol-1-yl)benzoate Formula: C9H7N4O3- MolecularWeight: 219.17688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O3/c1-16-8-4-6(9(14)15)2-3-7(8)13-5-10-11-12-13/h2-5H,1H3,(H,14,15)/p-1