4-[5-(2-azaniumylphenoxy)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-(2-azaniumylphenoxy)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-(2-azaniumylphenoxy)tetrazol-1-yl]benzoate CAS Name: 4-[5-(2-ammoniophenoxy)-1-tetrazolyl]benzoate IUPAC Name: 4-[5-(2-azaniumylphenoxy)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(2-ammoniophenoxy)tetrazol-1-yl]benzoate Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[NH3+])OC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[NH3+])OC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H11N5O3/c15-11-3-1-2-4-12(11)22-14-16-17-18-19(14)10-7-5-9(6-8-10)13(20)21/h1-8H,15H2,(H,20,21)