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

Systemtic Name: 4-[5-(3,4-dimethylphenoxy)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-(3,4-dimethylphenoxy)tetrazol-1-yl]benzoate CAS Name: 4-[5-(3,4-dimethylphenoxy)-1-tetrazolyl]benzoate IUPAC Name: 4-[5-(3,4-dimethylphenoxy)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(3,4-dimethylphenoxy)tetrazol-1-yl]benzoate Formula: C16H13N4O3- MolecularWeight: 309.29942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C16H14N4O3/c1-10-3-8-14(9-11(10)2)23-16-17-18-19-20(16)13-6-4-12(5-7-13)15(21)22/h3-9H,1-2H3,(H,21,22)/p-1